Geometry & MOs

Info

ID:	67535
PubChem CID:	46506668
Reduced:	SN2O3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	438.080491
ΔH_f, kcal/mol:	-43.83
Dipole, Da:	4.41
IP(EA), eV:	-8.58(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N/C=C\2/C(=O)C3=CC=CC=C3N(S2(=O)=O)CC4=CC=CC(=C4)C

DOS

IR

Vibrations