Geometry & MOs

Info

ID:	27718
PubChem CID:	823267
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	270.128966
ΔH_f, kcal/mol:	5.8
Dipole, Da:	3.12
IP(EA), eV:	-8.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[(4-tert-butylphenyl)methylsulfinyl]propane-1,2-diol

Drug info:

PubChemData

Smile

CCC1=NC(=C(C2=C1COC(C2)(C)C)C#N)NCC3=CC=CC=C3

DOS

IR

Vibrations