Geometry & MOs

Info

ID:	115466
PubChem CID:	50523708
Reduced:	Cl2O4N5C24H27 (1)
Stoich.:	A2B4C5D24E27 (1)
Weight, g/mol:	503.17356
ΔH_f, kcal/mol:	-157.68
Dipole, Da:	6.33
IP(EA), eV:	-9.04(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations