Geometry & MOs

Info

ID:

109398

PubChem CID:

50282908

Reduced:

O4N5C34H41 (1)

Stoich.:

A4B5C34D41 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-137.74

Dipole, Da:

7.85

IP(EA), eV:

 -8.58(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(diethylcarbamoyl)-6-methylphenyl]-1-[2-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations