Geometry & MOs

Info

ID:

384054

PubChem CID:

134976258

Reduced:

PSSiN5O14C53H66 (1)

Stoich.:

ABCD5E14F53G66 (1)

Weight, g/mol:

1083.399705

ΔHf, kcal/mol:

-591.58

Dipole, Da:

9.85

IP(EA), eV:

 -8.94(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[6-oxo-2-(prop-2-enylamino)-3H-purin-9-yl]oxolan-3-yl]oxy-prop-2-enoxyphosphinothioyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(OCC=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)OCC=C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations