Geometry & MOs

Info

ID:	263959
PubChem CID:	103409860
Reduced:	O5C15H22 (1)
Stoich.:	A5B15C22 (1)
Weight, g/mol:	302.082409
ΔH_f, kcal/mol:	-181.73
Dipole, Da:	3.92
IP(EA), eV:	-8.54(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-methoxyethoxy)propylsulfonyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCCCOCCOC)OC

DOS

IR

Vibrations