Geometry & MOs

Info

ID:	136261
PubChem CID:	52009071
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-75.41
Dipole, Da:	4.66
IP(EA), eV:	-8.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,4-dimethyl-3-oxo-N-prop-2-enyl-1,4-benzothiazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@]1(C(=O)N(C2=CC=CC=C2S1)C)C

DOS

IR

Vibrations