Geometry & MOs

Info

ID:

117956

PubChem CID:

50621886

Reduced:

Cl2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

734.275024

ΔHf, kcal/mol:

-193.59

Dipole, Da:

7.49

IP(EA), eV:

 -8.7(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4C)Cl

DOS

IR

Vibrations