Geometry & MOs

Info

ID:

93367

PubChem CID:

49994179

Reduced:

N5O5C38H47 (1)

Stoich.:

A5B5C38D47 (1)

Weight, g/mol:

637.362805

ΔHf, kcal/mol:

-186.48

Dipole, Da:

5.75

IP(EA), eV:

 -8.35(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations