Geometry & MOs

Info

ID:

118377

PubChem CID:

50640202

Reduced:

Cl2F3O4N5C31H38 (1)

Stoich.:

A2B3C4D5E31F38 (1)

Weight, g/mol:

680.228074

ΔHf, kcal/mol:

-341.65

Dipole, Da:

7.71

IP(EA), eV:

 -9.14(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations