Geometry & MOs

Info

ID:	226698
PubChem CID:	87556932
Reduced:	O2S5H10C12 (1)
Stoich.:	A2B5C10D12 (1)
Weight, g/mol:	174.125594
ΔH_f, kcal/mol:	-23.19
Dipole, Da:	7.96
IP(EA), eV:	-8.73(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-4-hydroxyhexan-3-yl) formate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)SS)S(=O)(=O)C2=CC=CC=C2SS

DOS

IR

Vibrations