Geometry & MOs

Info

ID:

384890

PubChem CID:

134977873

Reduced:

PSSiN5O12C54H64 (1)

Stoich.:

ABCD5E12F54G64 (1)

Weight, g/mol:

1178.41569

ΔHf, kcal/mol:

-514.9

Dipole, Da:

10.48

IP(EA), eV:

 -8.95(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(2R,4S,5R)-4-[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]methoxy-methylphosphinothioyl]oxy-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(C)O[C@H]3C[C@@H](O[C@@H]3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=CC(=NC7=O)NC(=O)C8=CC=CC=C8)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations