Geometry & MOs

Info

ID:

110492

PubChem CID:

50326741

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-209.26

Dipole, Da:

5.0

IP(EA), eV:

 -8.78(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N(C)C)C(=O)NC(C)C

DOS

IR

Vibrations