Geometry & MOs

Info

ID:	170561
PubChem CID:	75253242
Reduced:	O2S3C4H9 (1)
Stoich.:	A2B3C4D9 (1)
Weight, g/mol:	183.968643
ΔH_f, kcal/mol:	-86.36
Dipole, Da:	1.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756776
Charge, e:	0

Chem-info

IUPAC name:

1-(dithiiran-3-yl)-3-sulfanylpropane-1,2-diol

Drug info:

PubChemData

Smile

C(C(C(C1[SH+]S1)O)O)S

DOS

IR

Vibrations