Geometry & MOs

Info

ID:

105675

PubChem CID:

50135679

Reduced:

N6O6C39H52 (1)

Stoich.:

A6B6C39D52 (1)

Weight, g/mol:

712.431219

ΔHf, kcal/mol:

-240.23

Dipole, Da:

5.05

IP(EA), eV:

 -8.91(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)N6CCOCC6)C

DOS

IR

Vibrations