Geometry & MOs

Info

ID:	337132
PubChem CID:	127256697
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	353.989962
ΔH_f, kcal/mol:	-31.09
Dipole, Da:	0.47
IP(EA), eV:	-9.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-chlorophenyl)-1-(dioxiran-3-yl)ethyl]thieno[3,4-e][1,2,4]thiadiazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCCOC(=O)CC2=NNN=N2

DOS

IR

Vibrations