Geometry & MOs

Info

ID:	255738
PubChem CID:	103134354
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	236.071845
ΔH_f, kcal/mol:	-97.37
Dipole, Da:	1.9
IP(EA), eV:	-9.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methyloxolan-2-yl)methylsulfonyl]propanoic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC3=CC=CC=C32)C(=O)C

DOS

IR

Vibrations