Geometry & MOs

Info

ID:

47512

PubChem CID:

10533656

Reduced:

PN5O12C44H46 (1)

Stoich.:

AB5C12D44E46 (1)

Weight, g/mol:

872.2325

ΔHf, kcal/mol:

-449.3

Dipole, Da:

2.03

IP(EA), eV:

 -9.56(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-1-diethoxyphosphoryl-2-[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethyl] 4-bromobenzoate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(OCCC#N)O[C@@H]3C[C@@H](O[C@@H]3COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N7C=C(C(=O)NC7=O)C)OC(=O)C

DOS

IR

Vibrations