Geometry & MOs

Info

ID:	127896
PubChem CID:	51021692
Reduced:	SN2O4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	334.232807
ΔH_f, kcal/mol:	-131.27
Dipole, Da:	1.44
IP(EA), eV:	-9.18(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-7-ethenyl-2,2,5-trimethylbicyclo[4.2.1]non-4-en-3-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H]2C3=CC=CC=C3O[C@]1(N=C4N2C(=O)CS4)C

DOS

IR

Vibrations