Geometry & MOs

Info

ID:

97146

PubChem CID:

50028222

Reduced:

FO5N6C43H47 (1)

Stoich.:

AB5C6D43E47 (1)

Weight, g/mol:

766.304574

ΔHf, kcal/mol:

-203.67

Dipole, Da:

5.54

IP(EA), eV:

 -8.6(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-chlorobenzoyl)amino]phenyl]-1-[1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC(=C6)F)C)C

DOS

IR

Vibrations