Geometry & MOs

Info

ID:

118194

PubChem CID:

50632533

Reduced:

ClO5N6C40H41 (1)

Stoich.:

AB5C6D40E41 (1)

Weight, g/mol:

738.273274

ΔHf, kcal/mol:

-143.65

Dipole, Da:

11.42

IP(EA), eV:

 -8.56(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(4-fluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations