Geometry & MOs

Info

ID:

114272

PubChem CID:

50476641

Reduced:

FO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-227.02

Dipole, Da:

3.97

IP(EA), eV:

 -8.7(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6CCCC6)C)F

DOS

IR

Vibrations