Geometry & MOs

Info

ID:	67533
PubChem CID:	46506665
Reduced:	SN2O3H20C23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	418.135114
ΔH_f, kcal/mol:	-42.87
Dipole, Da:	4.77
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(2-methylanilino)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=CC=CC=C4)/S2(=O)=O

DOS

IR

Vibrations