Geometry & MOs

Info

ID:	434145
PubChem CID:	135174308
Reduced:	P2N9O13C21H27 (1)
Stoich.:	A2B9C13D21E27 (1)
Weight, g/mol:	628.119628
ΔH_f, kcal/mol:	-571.24
Dipole, Da:	9.03
IP(EA), eV:	-8.89(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [5-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

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

C1[C@H](C(OC1COP(=O)(O)O[C@@H]2[C@@H](C(OC2N3C=NC4=C3NC(=NC4=O)N)COP(=O)(O)O)O)N5C=CC6=C(N=CN=C65)N)O

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

C1[C@H](C(OC1COP(=O)(O)O[C@@H]2[C@@H](C(OC2N3C=NC4=C3NC(=NC4=O)N)COP(=O)(O)O)O)N5C=CC6=C(N=CN=C65)N)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):