Geometry & MOs

Info

ID:	287709
PubChem CID:	104252532
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-79.84
Dipole, Da:	2.96
IP(EA), eV:	-9.46(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2CCCCO2)C(=O)C

DOS

IR

Vibrations