Geometry & MOs

Info

ID:

99624

PubChem CID:

50052777

Reduced:

F3O4N5C34H38 (1)

Stoich.:

A3B4C5D34E38 (1)

Weight, g/mol:

766.304574

ΔHf, kcal/mol:

-269.4

Dipole, Da:

7.41

IP(EA), eV:

 -8.79(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations