Geometry & MOs

Info

ID:	1255
PubChem CID:	4052
Reduced:	S2N3O4H13C14 (1)
Stoich.:	A2B3C4D13E14 (1)
Weight, g/mol:	351.034748
ΔH_f, kcal/mol:	-81.35
Dipole, Da:	7.28
IP(EA), eV:	-8.93(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[hydroxy-[(5-methyl-1,3-thiazol-2-yl)amino]methylidene]-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-one

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=C2C(=O)C3=CC=CC=C3S(=O)(=O)N2C)O

DOS

IR

Vibrations