Geometry & MOs

Info

ID:	391889
PubChem CID:	135010634
Reduced:	SO4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	346.214819
ΔH_f, kcal/mol:	-145.77
Dipole, Da:	4.62
IP(EA), eV:	-8.77(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(3S,4S)-3-ethenyl-4-prop-2-ynyl-6-trimethylsilylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane

Drug info:

PubChemData

Smile

COCCC(C/C(=C/C(=O)OC)/SC1=CC=CC=C1)OC

DOS

IR

Vibrations