Geometry & MOs

Info

ID:	22433
PubChem CID:	597190
Reduced:	ClNSO2C9H10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	231.012077
ΔH_f, kcal/mol:	-65.53
Dipole, Da:	3.08
IP(EA), eV:	-9.62(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-methyl-1,4-dihydro-2lambda6,3-benzothiazine 2,2-dioxide

Drug info:

PubChemData

Smile

CN1CC2=C(CS1(=O)=O)C=CC(=C2)Cl

DOS

IR

Vibrations