Geometry & MOs

Info

ID:

111321

PubChem CID:

50362265

Reduced:

O5N6C40H54 (1)

Stoich.:

A5B6C40D54 (1)

Weight, g/mol:

712.431219

ΔHf, kcal/mol:

-219.81

Dipole, Da:

10.35

IP(EA), eV:

 -8.82(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)N6CCCCC6

DOS

IR

Vibrations