Geometry & MOs

Info

ID:

214878

PubChem CID:

85083785

Reduced:

N9O11C24H41 (1)

Stoich.:

A9B11C24D41 (1)

Weight, g/mol:

632.141412

ΔHf, kcal/mol:

-488.78

Dipole, Da:

12.62

IP(EA), eV:

 -9.78(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[4-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5H-purin-6-one

Drug info:

PubChemData

Smile

CC(=O)NC1C(C=C(OC1C(C(CO)O)OCCNC(=O)CCC(C(=O)NC(CCC(=O)N)C(=O)N)N)C(=O)O)N=C(N)N

DOS

IR

Vibrations