Geometry & MOs

Info

ID:

116745

PubChem CID:

50573768

Reduced:

ClN3O3C19H25 (2)

Stoich.:

AB3C3D19E25 (2)

Weight, g/mol:

644.228074

ΔHf, kcal/mol:

-268.53

Dipole, Da:

4.35

IP(EA), eV:

 -9.14(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[4-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations