Geometry & MOs

Info

ID:	204476
PubChem CID:	79968921
Reduced:	ON2S2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	257.054421
ΔH_f, kcal/mol:	-13.63
Dipole, Da:	1.8
IP(EA), eV:	-8.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4-oxathian-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

Drug info:

PubChemData

Smile

CCNCC1=CSC(=N1)C2CSCCO2

DOS

IR

Vibrations