Geometry & MOs

Info

ID:	60303
PubChem CID:	26683768
Reduced:	NSO4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	343.087829
ΔH_f, kcal/mol:	-121.52
Dipole, Da:	4.46
IP(EA), eV:	-8.78(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxyphenyl) (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)S[C@H](C(=O)N3)C

DOS

IR

Vibrations