Geometry & MOs

Info

ID:	67555
PubChem CID:	46506705
Reduced:	SN2O5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	432.150764
ΔH_f, kcal/mol:	-120.51
Dipole, Da:	4.34
IP(EA), eV:	-8.66(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(2-ethylanilino)methylidene]-1-[(3-methylphenyl)methyl]-2,2-dioxo-2lambda6,1-benzothiazin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C(=O)/C(=C\NC4=C(C=CC(=C4)OC)OC)/S2(=O)=O

DOS

IR

Vibrations