Geometry & MOs

Info

ID:

93164

PubChem CID:

49992091

Reduced:

ClO4N5C37H44 (1)

Stoich.:

AB4C5D37E44 (1)

Weight, g/mol:

657.308183

ΔHf, kcal/mol:

-154.35

Dipole, Da:

7.76

IP(EA), eV:

 -8.73(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]-4-methylphenyl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations