Geometry & MOs

Info

ID:	60306
PubChem CID:	26683771
Reduced:	NSO4H17C21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	403.037057
ΔH_f, kcal/mol:	-99.36
Dipole, Da:	3.82
IP(EA), eV:	-8.71(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-dithiolan-2-yl)phenyl] (2S)-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=CC4=C(C=CC(=C4)OC)C=C3

DOS

IR

Vibrations