Geometry & MOs

Info

ID:	287366
PubChem CID:	104239334
Reduced:	O2S2N3C6H11 (1)
Stoich.:	A2B2C3D6E11 (1)
Weight, g/mol:	213.08235
ΔH_f, kcal/mol:	-43.13
Dipole, Da:	4.15
IP(EA), eV:	-9.23(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

Drug info:

PubChemData

Smile

CNCC1=CSC(=N1)CS(=O)(=O)N

DOS

IR

Vibrations