Geometry & MOs

Info

ID:	345482
PubChem CID:	127269782
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	-154.83
Dipole, Da:	4.97
IP(EA), eV:	-8.94(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CCC(=O)CC3

DOS

IR

Vibrations