Geometry & MOs

Info

ID:	406001
PubChem CID:	135076204
Reduced:	NC24H25 (1)
Stoich.:	AB24C25 (1)
Weight, g/mol:	341.969976
ΔH_f, kcal/mol:	76.24
Dipole, Da:	1.49
IP(EA), eV:	-9.22(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloropyridin-3-yl)-fluoromethyl]sulfonyl-1,3-benzothiazole

Drug info:

PubChemData

Smile

C/C=C(/CC(CN)(C1=CC=CC=C1)C2=CC=CC=C2)\C3=CC=CC=C3

DOS

IR

Vibrations