Geometry & MOs

Info

ID:	136752
PubChem CID:	52094541
Reduced:	ClON2F3H12C19 (1)
Stoich.:	ABC2D3E12F19 (1)
Weight, g/mol:	435.086447
ΔH_f, kcal/mol:	-124.03
Dipole, Da:	5.28
IP(EA), eV:	-9.42(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylsulfamoyl)-N-[6-(trifluoromethyl)quinolin-4-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C(=O)NC2=C3C=C(C=CC3=NC=C2)C(F)(F)F)Cl

DOS

IR

Vibrations