Geometry & MOs

Info

ID:	412720
PubChem CID:	135085634
Reduced:	NSO4C10H15 (1)
Stoich.:	ABC4D10E15 (1)
Weight, g/mol:	243.051799
ΔH_f, kcal/mol:	-159.11
Dipole, Da:	5.38
IP(EA), eV:	-8.4(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-5-methyl-1,3-benzothiazole

Drug info:

PubChemData

Smile

CCC1=C(S(=O)CCN1C(=O)C)C(=O)OC

DOS

IR

Vibrations