Geometry & MOs

Info

ID:

116043

PubChem CID:

50544577

Reduced:

Cl3O4N5C31H40 (1)

Stoich.:

A3B4C5D31E40 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-201.27

Dipole, Da:

7.98

IP(EA), eV:

 -9.05(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=CC(=C3)Cl)Cl)Cl

DOS

IR

Vibrations