Geometry & MOs

Info

ID:	381983
PubChem CID:	134972876
Reduced:	SO4H22C23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-100.13
Dipole, Da:	3.41
IP(EA), eV:	-8.83(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R)-5-phenylhexane-1,3-diol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SC(=O)C(C(C2=CC=CC=C2)O)C(C3=CC=CC=C3)O

DOS

IR

Vibrations