Geometry & MOs

Info

ID:	142973
PubChem CID:	53125480
Reduced:	SN2O5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	340.088164
ΔH_f, kcal/mol:	-102.12
Dipole, Da:	13.45
IP(EA), eV:	-9.43(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-1lambda6,4-benzothiazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)S(=O)(=O)C(=CN2C3=CC(=C(C(=C3)OC)OC)OC)C#N

DOS

IR

Vibrations