Geometry & MOs

Info

ID:

111867

PubChem CID:

50384642

Reduced:

O3N4C31H42 (1)

Stoich.:

A3B4C31D42 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-137.19

Dipole, Da:

1.85

IP(EA), eV:

 -8.77(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=CC(=C4)C)C)C

DOS

IR

Vibrations