Geometry & MOs

Info

ID:

92424

PubChem CID:

49986082

Reduced:

N6O6C41H56 (1)

Stoich.:

A6B6C41D56 (1)

Weight, g/mol:

728.426134

ΔHf, kcal/mol:

-259.77

Dipole, Da:

12.77

IP(EA), eV:

 -8.4(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methoxy-5-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCC6)C

DOS

IR

Vibrations