Geometry & MOs

Info

ID:

111829

PubChem CID:

50382568

Reduced:

N5O5C38H47 (1)

Stoich.:

A5B5C38D47 (1)

Weight, g/mol:

657.308183

ΔHf, kcal/mol:

-185.13

Dipole, Da:

5.69

IP(EA), eV:

 -8.72(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]-4-methylphenyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5OC)C

DOS

IR

Vibrations