Geometry & MOs

Info

ID:	387800
PubChem CID:	134986992
Reduced:	S2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	261.08235
ΔH_f, kcal/mol:	-87.86
Dipole, Da:	7.38
IP(EA), eV:	-8.65(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,2,3,9-tetrahydrocyclopenta[b][1,4]benzothiazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CSC2=C(O1)C3=CC=CC=C3S(=O)(=O)C2

DOS

IR

Vibrations