Geometry & MOs

Info

ID:

384895

PubChem CID:

134977889

Reduced:

PSSiN5O14C56H68 (1)

Stoich.:

ABCD5E14F56G68 (1)

Weight, g/mol:

1238.436819

ΔHf, kcal/mol:

-567.26

Dipole, Da:

9.5

IP(EA), eV:

 -8.78(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(C)O[C@@H]3[C@H](O[C@H]([C@@H]3OC)N4C=CC(=NC4=O)NC(=O)C5=CC=CC=C5)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)O[Si](C)(C)C(C)(C)C)OC

DOS

IR

Vibrations