Geometry & MOs

Info

ID:

119172

PubChem CID:

50672565

Reduced:

Cl2O4N5C29H35 (1)

Stoich.:

A2B4C5D29E35 (1)

Weight, g/mol:

629.25356

ΔHf, kcal/mol:

-171.78

Dipole, Da:

5.68

IP(EA), eV:

 -9.19(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCCC2)Cl)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations