Geometry & MOs

Info

ID:	50527
PubChem CID:	12013072
Reduced:	OSN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	236.098334
ΔH_f, kcal/mol:	-11.74
Dipole, Da:	1.84
IP(EA), eV:	-8.37(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylimino-1,3-benzothiazol-3-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC(CN1C2=CC=CC=C2SC1=NC)O

DOS

IR

Vibrations