Geometry & MOs

Info

ID:

434278

PubChem CID:

135174576

Reduced:

P2N10O11C21H28 (1)

Stoich.:

A2B10C11D21E28 (1)

Weight, g/mol:

670.10504

ΔHf, kcal/mol:

-483.01

Dipole, Da:

15.32

IP(EA), eV:

 -8.97(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(9S)-19-(6-aminopurin-9-yl)-4,12-dihydroxy-4,12-dioxo-3,5,8,11,13,16,18-heptaoxa-4lambda5,12lambda5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C[C@H]1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)OP(=O)(O)OCC4CCC(O4)N5C=NC6=C5NC(=NC6=O)N

DOS

IR

Vibrations