Geometry & MOs

Info

ID:	434436
PubChem CID:	135174922
Reduced:	P2O11N13C20H25 (1)
Stoich.:	A2B11C13D20E25 (1)
Weight, g/mol:	672.12069
ΔH_f, kcal/mol:	-392.34
Dipole, Da:	16.15
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(1R,5R,6R,10R,15S,17R)-9-(6-aminopurin-9-yl)-3,9,12-trihydroxy-5-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-3H-purin-6-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CC(O[C@@H]1COP(=O)(O)O[C@H]2[C@@H](O[C@@H](C2N=[N+]=[N-])COP(=O)(O)O)N3C=NC4=C3NC(=NC4=O)N)N5C=NC6=C(N=CN=C65)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CC(O[C@@H]1COP(=O)(O)O[C@H]2[C@@H](O[C@@H](C2N=[N+]=[N-])COP(=O)(O)O)N3C=NC4=C3NC(=NC4=O)N)N5C=NC6=C(N=CN=C65)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):