Geometry & MOs

Info

ID:

111937

PubChem CID:

50387375

Reduced:

N6O6C43H54 (1)

Stoich.:

A6B6C43D54 (1)

Weight, g/mol:

609.331505

ΔHf, kcal/mol:

-231.62

Dipole, Da:

6.75

IP(EA), eV:

 -8.06(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C6=CC=CC(=C6)C)C

DOS

IR

Vibrations