Geometry & MOs

Info

ID:	221858
PubChem CID:	85291438
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	270.09258
ΔH_f, kcal/mol:	-2.99
Dipole, Da:	4.23
IP(EA), eV:	-9.11(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(benzenesulfinyl)-3-hydroxy-4-methylpentanoate

Drug info:

PubChemData

Smile

C1C(ON(C1C2=CC=CC=N2)CC3=CC=CC=C3)CO

DOS

IR

Vibrations