Geometry & MOs

Info

ID:

436394

PubChem CID:

135199823

Reduced:

O6N7C25H31 (1)

Stoich.:

A6B7C25D31 (1)

Weight, g/mol:

771.329805

ΔHf, kcal/mol:

-164.67

Dipole, Da:

3.23

IP(EA), eV:

 -9.26(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-6-cyano-1-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxopyridin-3-yl]amino]-1,5-dioxo-6-(triphenyl-lambda5-phosphanylidene)hexan-2-yl]-3-methylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)CNC(=O)CN1C=CC=C(C1=O)NC(=O)[C@H](CCC(=O)C(=O)C#N)NC(=O)C2=CN=CN2C

DOS

IR

Vibrations