Geometry & MOs

Info

ID:	172528
PubChem CID:	75522057
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	257.108565
ΔH_f, kcal/mol:	-103.35
Dipole, Da:	3.95
IP(EA), eV:	-9.21(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

COCCOCCN1C(=O)C=C2CCCCC2=N1

DOS

IR

Vibrations