Geometry & MOs

Info

ID:	27720
PubChem CID:	823273
Reduced:	SO3C15H24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	284.144616
ΔH_f, kcal/mol:	-134.54
Dipole, Da:	6.43
IP(EA), eV:	-8.74(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(1S)-1-(4-tert-butylphenyl)ethyl]sulfinylpropane-1,2-diol

Drug info:

PubChemData

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C[C@@H](C1=CC=C(C=C1)C(C)(C)C)S(=O)C[C@@H](CO)O

DOS

IR

Vibrations