Geometry & MOs

Info

ID:	60295
PubChem CID:	26679180
Reduced:	ClN2S2O5C20H23 (1)
Stoich.:	AB2C2D5E20F23 (1)
Weight, g/mol:	367.062677
ΔH_f, kcal/mol:	-130.01
Dipole, Da:	6.01
IP(EA), eV:	-8.45(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3,4-oxadiazol-2-yl)phenyl] (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)OC

DOS

IR

Vibrations