Geometry & MOs

Info

ID:	383699
PubChem CID:	134975570
Reduced:	ClOH9C12 (1)
Stoich.:	ABC9D12 (1)
Weight, g/mol:	226.102751
ΔH_f, kcal/mol:	-1.29
Dipole, Da:	2.74
IP(EA), eV:	-9.51(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(benzenesulfinyl)-4-methylpentan-1-ol

Drug info:

PubChemData

Smile

C1C=CC2C3=C(C1C2=O)C=CC(=C3)Cl

DOS

IR

Vibrations