Geometry & MOs

Info

ID:	123276
PubChem CID:	50840201
Reduced:	N2S2O3F4H12C16 (1)
Stoich.:	A2B2C3D4E12F16 (1)
Weight, g/mol:	426.027491
ΔH_f, kcal/mol:	-220.59
Dipole, Da:	6.08
IP(EA), eV:	-9.57(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-fluoro-N-[2-(2-methylpropylsulfonyl)-1,3-benzothiazol-6-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NS(=O)(=O)C2=C(SC(=C2)C3=NOC(=C3)C(F)(F)F)C

DOS

IR

Vibrations