Geometry & MOs

Info

ID:	193712
PubChem CID:	78428070
Reduced:	SO2F3N3C15H16 (1)
Stoich.:	AB2C3D3E15F16 (1)
Weight, g/mol:	485.069083
ΔH_f, kcal/mol:	-191.98
Dipole, Da:	8.03
IP(EA), eV:	-9.2(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)C(F)(F)F

DOS

IR

Vibrations