Geometry & MOs

Info

ID:	57131
PubChem CID:	22395373
Reduced:	FO6C14H19 (1)
Stoich.:	AB6C14D19 (1)
Weight, g/mol:	210.057064
ΔH_f, kcal/mol:	-305.14
Dipole, Da:	4.02
IP(EA), eV:	-9.86(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octane-1,3,8-trithiol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2C(C(C(O2)C(CO)O)O)(CO)O)F

DOS

IR

Vibrations