Geometry & MOs

Info

ID:	14691
PubChem CID:	417959
Reduced:	SO5C17H24 (1)
Stoich.:	AB5C17D24 (1)
Weight, g/mol:	340.134445
ΔH_f, kcal/mol:	-178.71
Dipole, Da:	6.48
IP(EA), eV:	-8.88(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3,4-trimethoxyphenyl)cyclohexyl]sulfanylacetic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2CCCCC2SCC(=O)O)OC)OC

DOS

IR

Vibrations