Geometry & MOs

Info

ID:	22482
PubChem CID:	597361
Reduced:	NS3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	241.005363
ΔH_f, kcal/mol:	38.95
Dipole, Da:	2.4
IP(EA), eV:	-9.06(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(propan-2-yldisulfanyl)-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC(C)SSC1=NC2=CC=CC=C2S1

DOS

IR

Vibrations