Geometry & MOs

Info

ID:

118181

PubChem CID:

50632182

Reduced:

ClF2O5N6C40H41 (1)

Stoich.:

AB2C5D6E40F41 (1)

Weight, g/mol:

754.243724

ΔHf, kcal/mol:

-243.94

Dipole, Da:

6.29

IP(EA), eV:

 -8.73(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(3-methylbenzoyl)amino]phenyl]-1-[1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)NC(=O)CC5=CC=C(C=C5)F)F)Cl

DOS

IR

Vibrations