Geometry & MOs

Info

ID:

115465

PubChem CID:

50523636

Reduced:

ClF2O4N5C32H34 (1)

Stoich.:

AB2C4D5E32F34 (1)

Weight, g/mol:

519.14401

ΔHf, kcal/mol:

-222.06

Dipole, Da:

7.89

IP(EA), eV:

 -8.95(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[1-(2-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)F)F)Cl

DOS

IR

Vibrations