Geometry & MOs

Info

ID:

108557

PubChem CID:

50249603

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

696.287175

ΔHf, kcal/mol:

-184.35

Dipole, Da:

10.97

IP(EA), eV:

 -8.65(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-benzamido-3-methylanilino)-2-oxoethyl]-1-[2-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)C)NC(=O)C(C)C

DOS

IR

Vibrations