Geometry & MOs

Info

ID:	136748
PubChem CID:	52093843
Reduced:	SO2F3N3H12C16 (1)
Stoich.:	AB2C3D3E12F16 (1)
Weight, g/mol:	368.055481
ΔH_f, kcal/mol:	-180.65
Dipole, Da:	2.82
IP(EA), eV:	-8.59(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C2=CNC3=C(C2=O)C=CC(=C3)C(F)(F)F)C

DOS

IR

Vibrations