Geometry & MOs

Info

ID:

120442

PubChem CID:

50727337

Reduced:

Cl2O5N6H34C36 (1)

Stoich.:

A2B5C6D34E36 (1)

Weight, g/mol:

706.243724

ΔHf, kcal/mol:

-130.24

Dipole, Da:

4.66

IP(EA), eV:

 -8.83(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)NC3=CC=CC=C3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations