Geometry & MOs

Info

ID:

111991

PubChem CID:

50390004

Reduced:

O5N6C40H58 (1)

Stoich.:

A5B6C40D58 (1)

Weight, g/mol:

657.308183

ΔHf, kcal/mol:

-248.19

Dipole, Da:

8.22

IP(EA), eV:

 -8.79(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCC(CC4)C)C

DOS

IR

Vibrations