Geometry & MOs

Info

ID:	294183
PubChem CID:	117431662
Reduced:	NOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	272.071845
ΔH_f, kcal/mol:	-45.08
Dipole, Da:	3.56
IP(EA), eV:	-9.18(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-5-methylsulfonylphenyl)butanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)C(C)C)C2(CCCC2)N=C=O

DOS

IR

Vibrations