Geometry & MOs

Info

ID:	227128
PubChem CID:	87560304
Reduced:	O2F3C8H13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	211.982185
ΔH_f, kcal/mol:	-277.69
Dipole, Da:	4.89
IP(EA), eV:	-11.11(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(sulfanylmethyl)dithian-3-yl]methanethiol

Drug info:

PubChemData

Smile

CCC(C(CC)C(F)(F)F)C(=O)O

DOS

IR

Vibrations