Geometry & MOs

Info

ID:	385220
PubChem CID:	134978550
Reduced:	S2P3N5C10O11H12 (1)
Stoich.:	A2B3C5D10E11F12 (1)
Weight, g/mol:	640.076717
ΔH_f, kcal/mol:	-443.41
Dipole, Da:	2.67
IP(EA), eV:	-9.69(-2.69)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

9-[(1S,6S,8S,10R,15S,17R)-17-(6-aminopurin-9-yl)-3,12-dioxido-3,12-dioxo-2,4,7,11,16-pentaoxa-13-thia-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine

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

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(OP(=O)([O-])OP(=O)([O-])[O-])[S-])N=[N+]=[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

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(OP(=O)([O-])OP(=O)([O-])[O-])[S-])N=[N+]=[N-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):