Geometry & MOs

Info

ID:	337133
PubChem CID:	127256698
Reduced:	ClN2S2O3H11C14 (1)
Stoich.:	AB2C2D3E11F14 (1)
Weight, g/mol:	199.97142
ΔH_f, kcal/mol:	34.05
Dipole, Da:	5.13
IP(EA), eV:	-8.73(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dioxiran-3-yl)-2H-thieno[3,4-e][1,2,4]thiadiazine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CC(C2OO2)N3C4=CSC=C4SNC3=O

DOS

IR

Vibrations