Geometry & MOs

Info

ID:	1097
PubChem CID:	3782
Reduced:	SN3O5H13C14 (1)
Stoich.:	AB3C5D13E14 (1)
Weight, g/mol:	335.057592
ΔH_f, kcal/mol:	-92.84
Dipole, Da:	7.87
IP(EA), eV:	-8.94(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=C2C(=O)C3=CC=CC=C3S(=O)(=O)N2C)O

DOS

IR

Vibrations