Geometry & MOs

Info

ID:

117528

PubChem CID:

50605999

Reduced:

ClO3N4C29H31 (1)

Stoich.:

AB3C4D29E31 (1)

Weight, g/mol:

659.287447

ΔHf, kcal/mol:

-77.66

Dipole, Da:

3.27

IP(EA), eV:

 -8.6(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations