Geometry & MOs

Info

ID:

118066

PubChem CID:

50627631

Reduced:

ClO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

686.275024

ΔHf, kcal/mol:

-180.89

Dipole, Da:

10.61

IP(EA), eV:

 -8.59(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)NC(C)C)Cl

DOS

IR

Vibrations