Geometry & MOs

Info

ID:	383014
PubChem CID:	134974501
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	312.175686
ΔH_f, kcal/mol:	-54.2
Dipole, Da:	3.13
IP(EA), eV:	-9.61(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2,4-triol

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)(C#N)C(=O)OCC

DOS

IR

Vibrations