Geometry & MOs

Info

ID:	230789
PubChem CID:	87572010
Reduced:	ClO3C4H6 (2)
Stoich.:	AB3C4D6 (2)
Weight, g/mol:	190.102751
ΔH_f, kcal/mol:	-279.76
Dipole, Da:	4.2
IP(EA), eV:	-10.46(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexylsulfanylformic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C(O[C@H]1O)COC(=O)C(Cl)Cl)O)O

DOS

IR

Vibrations