Geometry & MOs

Info

ID:	124162
PubChem CID:	50873688
Reduced:	ClNSH10C14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	243.051799
ΔH_f, kcal/mol:	54.38
Dipole, Da:	1.87
IP(EA), eV:	-9.03(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-4-methyl-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations