Geometry & MOs

Info

ID:

116861

PubChem CID:

50578424

Reduced:

Cl2O4N5C35H39 (1)

Stoich.:

A2B4C5D35E39 (1)

Weight, g/mol:

712.290674

ΔHf, kcal/mol:

-149.53

Dipole, Da:

10.43

IP(EA), eV:

 -8.44(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations