Geometry & MOs

Info

ID:	369859
PubChem CID:	127336464
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	395.072196
ΔH_f, kcal/mol:	-140.65
Dipole, Da:	8.31
IP(EA), eV:	-8.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(5,5-dioxo-1H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC1C(S(=O)CCN1C(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O)C

DOS

IR

Vibrations