Geometry & MOs

Info

ID:

117045

PubChem CID:

50586664

Reduced:

ClFO4N5C31H37 (1)

Stoich.:

ABC4D5E31F37 (1)

Weight, g/mol:

734.275024

ΔHf, kcal/mol:

-209.68

Dipole, Da:

6.73

IP(EA), eV:

 -8.71(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-chlorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=CC=C5)F)Cl

DOS

IR

Vibrations