Geometry & MOs

Info

ID:

118193

PubChem CID:

50632532

Reduced:

ClF2O5N6H39C40 (1)

Stoich.:

AB2C5D6E39F40 (1)

Weight, g/mol:

720.282696

ΔHf, kcal/mol:

-228.56

Dipole, Da:

5.8

IP(EA), eV:

 -8.78(-0.78)

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-[2-methyl-3-(phenylcarbamoyl)phenyl]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=C(C=C(C=C6)F)F

DOS

IR

Vibrations