Geometry & MOs

Info

ID:	319339
PubChem CID:	126655692
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	221.087435
ΔH_f, kcal/mol:	-104.6
Dipole, Da:	4.77
IP(EA), eV:	-8.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethyl-2,3-dihydro-1,4-benzothiazin-6-yl)ethanone

Drug info:

PubChemData

Smile

CCN1CCS(=O)(=O)C2=C1C=C(C=C2)C(=O)C

DOS

IR

Vibrations