Geometry & MOs

Info

ID:	198733
PubChem CID:	79142234
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	218.08777
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	3.79
IP(EA), eV:	-8.34(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azetidin-3-ylmethyl)-6-methyl-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)SCCOC2=CC=CC=C2OC

DOS

IR

Vibrations