Geometry & MOs

Info

ID:

116860

PubChem CID:

50578423

Reduced:

ClN5O5C36H42 (1)

Stoich.:

AB5C5D36E42 (1)

Weight, g/mol:

663.23791

ΔHf, kcal/mol:

-182.83

Dipole, Da:

6.84

IP(EA), eV:

 -8.14(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations