Geometry & MOs

Info

ID:

117583

PubChem CID:

50607989

Reduced:

ClO5N6C40H53 (1)

Stoich.:

AB5C6D40E53 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-228.68

Dipole, Da:

9.49

IP(EA), eV:

 -8.95(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)phenyl]-1-[1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC6CCCCC6C)Cl

DOS

IR

Vibrations