Geometry & MOs

Info

ID:	342237
PubChem CID:	127265014
Reduced:	ClN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	446.091198
ΔH_f, kcal/mol:	-80.0
Dipole, Da:	3.26
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)sulfonyl-N-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide

Drug info:

PubChemData

Smile

COCCCCC(=O)NC1=NNC(=C1)C2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations