Geometry & MOs

Info

ID:	293611
PubChem CID:	117394347
Reduced:	SO4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	256.07693
ΔH_f, kcal/mol:	-148.19
Dipole, Da:	5.03
IP(EA), eV:	-8.3(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfanylphenyl)acetate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C(=C1)SC)OC)OC)C(=O)O

DOS

IR

Vibrations