Geometry & MOs

Info

ID:

92747

PubChem CID:

49989414

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

611.287447

ΔHf, kcal/mol:

-228.82

Dipole, Da:

9.8

IP(EA), eV:

 -8.69(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-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)NC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations