Geometry & MOs

Info

ID:	312433
PubChem CID:	126604839
Reduced:	NOS2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	269.000277
ΔH_f, kcal/mol:	51.83
Dipole, Da:	2.41
IP(EA), eV:	-8.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-8-sulfanyl-4,5-dihydro-3H-thieno[3,4-g][1,2]benzothiazole-6-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C2CCC(=CC2=C(S1)OC3=CCC=C(C=C3)S)C=N

DOS

IR

Vibrations