Geometry & MOs

Info

ID:	149262
PubChem CID:	53788934
Reduced:	O3H7C9 (2)
Stoich.:	A3B7C9 (2)
Weight, g/mol:	324.13953
ΔH_f, kcal/mol:	-201.88
Dipole, Da:	6.7
IP(EA), eV:	-10.34(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-[6-(2-sulfanylphenoxy)hexyl]oxirane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC(=C1C(=O)O)C2=CC(=C(C=C2)C(=O)O)C(=O)C

DOS

IR

Vibrations