Geometry & MOs

Info

ID:

92582

PubChem CID:

49988230

Reduced:

FO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

643.292532

ΔHf, kcal/mol:

-178.35

Dipole, Da:

8.06

IP(EA), eV:

 -8.93(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations