Geometry & MOs

Info

ID:

114304

PubChem CID:

50478018

Reduced:

F2O4N5C38H39 (1)

Stoich.:

A2B4C5D38E39 (1)

Weight, g/mol:

744.320224

ΔHf, kcal/mol:

-189.85

Dipole, Da:

4.44

IP(EA), eV:

 -8.78(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=CC=C5)F)C)F

DOS

IR

Vibrations