Geometry & MOs

Info

ID:

111573

PubChem CID:

50373284

Reduced:

ClN6O6C39H51 (1)

Stoich.:

AB6C6D39E51 (1)

Weight, g/mol:

732.376597

ΔHf, kcal/mol:

-251.97

Dipole, Da:

4.1

IP(EA), eV:

 -9.2(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(cyclopentylcarbamoyl)phenyl]-1-[1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl)C(=O)NC6CCCCC6

DOS

IR

Vibrations