Geometry & MOs

Info

ID:	294453
PubChem CID:	117461891
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	286.087495
ΔH_f, kcal/mol:	-51.6
Dipole, Da:	8.77
IP(EA), eV:	-8.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxy-5-methylsulfonylphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2CC2)C3=CC(=NN3C)C(=O)O

DOS

IR

Vibrations