Geometry & MOs

Info

ID:	182781
PubChem CID:	76937949
Reduced:	SN2O4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	189.996762
ΔH_f, kcal/mol:	-124.44
Dipole, Da:	4.9
IP(EA), eV:	-9.71(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-but-2-enoxy-4-chloro-1,2,5-thiadiazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)O)S(=O)(=O)NCCCN

DOS

IR

Vibrations