Geometry & MOs

Info

ID:	143457
PubChem CID:	53212284
Reduced:	NSO3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	263.061614
ΔH_f, kcal/mol:	-83.99
Dipole, Da:	6.29
IP(EA), eV:	-8.97(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(3-oxo-4-propyl-1,4-benzothiazin-2-ylidene)acetic acid

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2S/C(=C\C(=O)O)/C1=O

DOS

IR

Vibrations