Geometry & MOs

Info

ID:	26172
PubChem CID:	640043
Reduced:	N3O6H13C18 (1)
Stoich.:	A3B6C13D18 (1)
Weight, g/mol:	245.05105
ΔH_f, kcal/mol:	-41.03
Dipole, Da:	12.82
IP(EA), eV:	-9.39(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=CC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])C(=O)N3CC2

DOS

IR

Vibrations