Geometry & MOs

Info

ID:	27714
PubChem CID:	823218
Reduced:	ClN2S2O3H9C10 (1)
Stoich.:	AB2C2D3E9F10 (1)
Weight, g/mol:	293.945511
ΔH_f, kcal/mol:	-63.38
Dipole, Da:	2.6
IP(EA), eV:	-9.27(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dichlorothiophen-3-yl)-3-ethyl-6H-1,3,4-thiadiazin-2-one

Drug info:

PubChemData

Smile

COC(=O)CN1C(=O)SCC(=N1)C2=CC=C(S2)Cl

DOS

IR

Vibrations