Geometry & MOs

Info

ID:	381441
PubChem CID:	134972178
Reduced:	O2C19H24 (1)
Stoich.:	A2B19C24 (1)
Weight, g/mol:	442.14424
ΔH_f, kcal/mol:	-57.98
Dipole, Da:	0.44
IP(EA), eV:	-9.28(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylselanyloct-4-enoate

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#CC2=CC=CC=C2)OC3CCCCO3

DOS

IR

Vibrations