Geometry & MOs

Info

ID:	143456
PubChem CID:	53211396
Reduced:	N2O3C9H16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	249.045964
ΔH_f, kcal/mol:	-135.56
Dipole, Da:	6.18
IP(EA), eV:	-9.23(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNC(=O)C(=O)O

DOS

IR

Vibrations