Geometry & MOs

Info

ID:	293610
PubChem CID:	117394283
Reduced:	FO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	256.07693
ΔH_f, kcal/mol:	-187.4
Dipole, Da:	5.11
IP(EA), eV:	-8.86(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxy-5-methylsulfanylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1OC)C(C)(C)F)OC)O

DOS

IR

Vibrations