Geometry & MOs

Info

ID:	178404
PubChem CID:	76323714
Reduced:	PO2S2N3C10H18 (1)
Stoich.:	AB2C2D3E10F18 (1)
Weight, g/mol:	268.001006
ΔH_f, kcal/mol:	-128.94
Dipole, Da:	6.33
IP(EA), eV:	-9.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl] methanesulfonate

Drug info:

PubChemData

Smile

CCC(C)SP(=O)(N1CCSC1=NC#N)OCC

DOS

IR

Vibrations