Geometry & MOs

Info

ID:

193139

PubChem CID:

78349904

Reduced:

O3N5C9H17 (1)

Stoich.:

A3B5C9D17 (1)

Weight, g/mol:

773.16216

ΔHf, kcal/mol:

-121.09

Dipole, Da:

3.68

IP(EA), eV:

 -8.08(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-(6-amino-1,2,3,4,7,8-hexahydropurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [4-hydroxy-3-methyl-5-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]oxolan-3-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C(C1CNC2=C(N1)C(=O)NC(N2)N)O)O

DOS

IR

Vibrations