Geometry & MOs

Info

ID:	60308
PubChem CID:	26683773
Reduced:	NO3S3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	327.092915
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	4.06
IP(EA), eV:	-8.91(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl) (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