Geometry & MOs

Info

ID:	337969
PubChem CID:	127258592
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	385.083138
ΔH_f, kcal/mol:	-52.5
Dipole, Da:	2.93
IP(EA), eV:	-8.56(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-carboxypropoxy)-1,1,4-trioxo-3H-1lambda6,3-benzothiazin-2-yl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C2=CC=CC=C2)/N=C/C(CCO)C(=O)O

DOS

IR

Vibrations