Geometry & MOs

Info

ID:

191658

PubChem CID:

78173573

Reduced:

BrN4O6C16H27 (1)

Stoich.:

AB4C6D16E27 (1)

Weight, g/mol:

669.111445

ΔHf, kcal/mol:

-280.07

Dipole, Da:

5.92

IP(EA), eV:

 -9.82(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl]phosphonamidic acid

Drug info:

PubChemData

Smile

CC1CC2C(CC1Br)N(C3C(N2)C(=O)NC(=O)N3)CC(C(C(CO)O)O)O

DOS

IR

Vibrations