Geometry & MOs

Info

ID:

384331

PubChem CID:

134976789

Reduced:

PSeSiN7O13C56H66 (1)

Stoich.:

ABCD7E13F56G66 (1)

Weight, g/mol:

1159.32784

ΔHf, kcal/mol:

-415.88

Dipole, Da:

3.49

IP(EA), eV:

 -8.88(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(2R,3R,4R,5R)-5-[[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-methylphosphinoselenoyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COP(=[Se])(C)O[C@@H]5[C@H](O[C@H]([C@@H]5OC)N6C=CC(=O)NC6=O)COC(C7=CC=CC=C7)(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC

DOS

IR

Vibrations