Geometry & MOs

Info

ID:	79386
PubChem CID:	49748400
Reduced:	FN2S2O3H19C21 (1)
Stoich.:	AB2C2D3E19F21 (1)
Weight, g/mol:	431.077362
ΔH_f, kcal/mol:	-100.58
Dipole, Da:	6.36
IP(EA), eV:	-8.56(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-methyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(=O)NC2=CC3=C(CCCN3S(=O)(=O)C4=CC=C(C=C4)F)C=C2

DOS

IR

Vibrations