Geometry & MOs

Info

ID:	292746
PubChem CID:	117357801
Reduced:	ON4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	242.06128
ΔH_f, kcal/mol:	23.99
Dipole, Da:	5.08
IP(EA), eV:	-8.51(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-(2-methoxy-4-methyl-5-methylsulfanylphenyl)acetic acid

Drug info:

PubChemData

Smile

CN1C(=O)CC2=C(C=CC=C21)C3=NN(C(=C3)N)C

DOS

IR

Vibrations