Geometry & MOs

Info

ID:	175418
PubChem CID:	75901427
Reduced:	Cl3N3O3C17H20 (1)
Stoich.:	A3B3C3D17E20 (1)
Weight, g/mol:	426.124943
ΔH_f, kcal/mol:	-145.16
Dipole, Da:	6.7
IP(EA), eV:	-9.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-oxochromen-6-yl)benzamide

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC1=C(C=C(C=C1)Cl)Cl)C(=O)C2CC(C(=O)NC2)Cl

DOS

IR

Vibrations