Geometry & MOs

Info

ID:

385216

PubChem CID:

134978541

Reduced:

FPSN2O8C31H31 (1)

Stoich.:

ABCD2E8F31G31 (1)

Weight, g/mol:

754.19006

ΔHf, kcal/mol:

-371.22

Dipole, Da:

13.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.057959

Charge, e:

 -1

Chem-info

IUPAC name:

N-[9-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[fluoro(oxido)phosphinothioyl]oxymethyl]oxolan-2-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)([O-])F)OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC

DOS

IR

Vibrations