Geometry & MOs

Info

ID:

118988

PubChem CID:

50666510

Reduced:

ClO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-177.57

Dipole, Da:

5.05

IP(EA), eV:

 -9.04(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)Cl

DOS

IR

Vibrations