Geometry & MOs

Info

ID:

93243

PubChem CID:

49992712

Reduced:

FO5N6C41H49 (1)

Stoich.:

AB5C6D41E49 (1)

Weight, g/mol:

740.345296

ΔHf, kcal/mol:

-225.85

Dipole, Da:

5.62

IP(EA), eV:

 -8.28(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=CC=C6F

DOS

IR

Vibrations