Geometry & MOs

Info

ID:	67476
PubChem CID:	46506547
Reduced:	SN2O5H22C25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	458.025869
ΔH_f, kcal/mol:	-125.96
Dipole, Da:	4.9
IP(EA), eV:	-8.97(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1-benzyl-3-[(2,4-dichloroanilino)methylidene]-2,2-dioxo-2lambda6,1-benzothiazin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations