Geometry & MOs

Info

ID:

116116

PubChem CID:

50547906

Reduced:

Cl2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

677.25356

ΔHf, kcal/mol:

-200.63

Dipole, Da:

8.48

IP(EA), eV:

 -8.68(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC(=C4)C)Cl)Cl

DOS

IR

Vibrations