Geometry & MOs

Info

ID:	159682
PubChem CID:	57288621
Reduced:	NSH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	124.019415
ΔH_f, kcal/mol:	84.93
Dipole, Da:	2.73
IP(EA), eV:	-8.34(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-sulfanylpropane-1,1,1-triol

Drug info:

PubChemData

Smile

C=CCN1C2=CC=CC=C2C=C1C3=CC=CS3

DOS

IR

Vibrations