Geometry & MOs

Info

ID:

117135

PubChem CID:

50592243

Reduced:

ClN6O6C37H45 (1)

Stoich.:

AB6C6D37E45 (1)

Weight, g/mol:

601.22226

ΔHf, kcal/mol:

-229.54

Dipole, Da:

8.06

IP(EA), eV:

 -8.49(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-chloro-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OC)Cl

DOS

IR

Vibrations