Geometry & MOs

Info

ID:	13486
PubChem CID:	237183
Reduced:	ClNS3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	322.96639
ΔH_f, kcal/mol:	79.13
Dipole, Da:	1.86
IP(EA), eV:	-8.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)sulfanylmethylsulfanyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)SCSC3=CC=C(C=C3)Cl

DOS

IR

Vibrations