Geometry & MOs

Info

ID:

112144

PubChem CID:

50396748

Reduced:

ClO5N6C36H47 (1)

Stoich.:

AB5C6D36E47 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-214.65

Dipole, Da:

7.44

IP(EA), eV:

 -8.86(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-[1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC)C

DOS

IR

Vibrations