Geometry & MOs

Info

ID:	150794
PubChem CID:	53790490
Reduced:	O5C20H22 (1)
Stoich.:	A5B20C22 (1)
Weight, g/mol:	226.102751
ΔH_f, kcal/mol:	-182.59
Dipole, Da:	5.74
IP(EA), eV:	-9.25(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyethylsulfanyl)-3-(2-methylphenyl)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)C(=O)OCC2=CC(=CC=C2)C(=O)O)OC

DOS

IR

Vibrations