Geometry & MOs

Info

ID:

108228

PubChem CID:

50236354

Reduced:

Cl2F2O4N5C34H35 (1)

Stoich.:

A2B2C4D5E34F35 (1)

Weight, g/mol:

756.263852

ΔHf, kcal/mol:

-224.99

Dipole, Da:

8.75

IP(EA), eV:

 -8.88(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(phenylcarbamoyl)phenyl]-1-[1-[2-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)Cl

DOS

IR

Vibrations