Geometry & MOs

Info

ID:

93594

PubChem CID:

49995621

Reduced:

F3N5O5C35H44 (1)

Stoich.:

A3B5C5D35E44 (1)

Weight, g/mol:

740.345296

ΔHf, kcal/mol:

-367.26

Dipole, Da:

9.4

IP(EA), eV:

 -8.78(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(phenylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5OC(F)(F)F

DOS

IR

Vibrations