Geometry & MOs

Info

ID:	385918
PubChem CID:	134980320
Reduced:	SO2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	410.227721
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	3.71
IP(EA), eV:	-8.83(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenyl-2-phenylmethoxypent-4-en-1-one

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CCC=C[C@H]1SC2=CC=CC=C2

DOS

IR

Vibrations