Geometry & MOs

Info

ID:

103925

PubChem CID:

50085865

Reduced:

ClO4N5C37H44 (1)

Stoich.:

AB4C5D37E44 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-147.77

Dipole, Da:

6.79

IP(EA), eV:

 -8.71(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(propylcarbamoyl)phenyl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations