Geometry & MOs

Info

ID:	142972
PubChem CID:	53125241
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	386.093643
ΔH_f, kcal/mol:	31.84
Dipole, Da:	8.74
IP(EA), eV:	-8.59(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1,1-dioxo-4-(3,4,5-trimethoxyphenyl)-1lambda6,4-benzothiazine-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCSCC3)C4=CN=CC=C4

DOS

IR

Vibrations