Geometry & MOs

Info

ID:	60309
PubChem CID:	26683775
Reduced:	NSO3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	342.067428
ΔH_f, kcal/mol:	-92.53
Dipole, Da:	3.65
IP(EA), eV:	-8.96(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-carbamoylphenyl) (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=C(C=C(C=C3)C)C

DOS

IR

Vibrations