Geometry & MOs

Info

ID:	434126
PubChem CID:	135174284
Reduced:	PSO4N5C10H14 (1)
Stoich.:	ABC4D5E10F14 (1)
Weight, g/mol:	205.989378
ΔH_f, kcal/mol:	-167.26
Dipole, Da:	5.46
IP(EA), eV:	-9.51(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-prop-2-ynyl-5-sulfanyloxydithiane

Drug info:

PubChemData

Smile

C1CC(OC1COP(=S)(O)O)C2=CN=C3N2N=CN=C3N

DOS

IR

Vibrations