Geometry & MOs

Info

ID:	159368
PubChem CID:	57269714
Reduced:	NOSC12H19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	417.103479
ΔH_f, kcal/mol:	-37.75
Dipole, Da:	2.57
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-oxo-2-[(4-phenoxyphenyl)methylidene]-4H-1,4-benzothiazine-6-carboxylate

Drug info:

PubChemData

Smile

CCC(C)NCCC(=O)C1=CC(=CS1)C

DOS

IR

Vibrations