Geometry & MOs

Info

ID:	60307
PubChem CID:	26683772
Reduced:	NO3S3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	403.037057
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	2.89
IP(EA), eV:	-8.92(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

DOS

IR

Vibrations