Geometry & MOs

Info

ID:	247718
PubChem CID:	103072942
Reduced:	SN2O2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	288.093249
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	3.69
IP(EA), eV:	-9.38(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-benzothiazine-2,4-dione

Drug info:

PubChemData

Smile

C=C(CN)CN1C(=O)C2=CC=CC=C2SC1=O

DOS

IR

Vibrations