Geometry & MOs

Info

ID:

93570

PubChem CID:

49995546

Reduced:

O4N5C38H47 (1)

Stoich.:

A4B5C38D47 (1)

Weight, g/mol:

637.362805

ΔHf, kcal/mol:

-157.7

Dipole, Da:

7.41

IP(EA), eV:

 -8.34(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations