Geometry & MOs

Info

ID:

118474

PubChem CID:

50643859

Reduced:

ClN3O3C16H20 (2)

Stoich.:

AB3C3D16E20 (2)

Weight, g/mol:

615.23791

ΔHf, kcal/mol:

-235.02

Dipole, Da:

6.71

IP(EA), eV:

 -9.28(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N(C)C)Cl)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations