Geometry & MOs

Info

ID:

384887

PubChem CID:

134977868

Reduced:

P2N6O15C18H24 (1)

Stoich.:

A2B6C15D18E24 (1)

Weight, g/mol:

1065.377907

ΔHf, kcal/mol:

-660.18

Dipole, Da:

9.91

IP(EA), eV:

 -9.24(-2.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O)O)O

DOS

IR

Vibrations