Geometry & MOs

Info

ID:	67543
PubChem CID:	46506681
Reduced:	SN2O4H24C25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	452.096141
ΔH_f, kcal/mol:	-88.59
Dipole, Da:	4.96
IP(EA), eV:	-8.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)/C(=C\NCC4=CC=CC=C4OC)/S2(=O)=O

DOS

IR

Vibrations