Geometry & MOs

Info

ID:	287713
PubChem CID:	104252622
Reduced:	O2C6H11 (2)
Stoich.:	A2B6C11 (2)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-207.98
Dipole, Da:	2.15
IP(EA), eV:	-9.94(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C)C)C(=O)CC(C)OC

DOS

IR

Vibrations