Geometry & MOs

Info

ID:	392236
PubChem CID:	135013813
Reduced:	SiO4C22H40 (1)
Stoich.:	AB4C22D40 (1)
Weight, g/mol:	396.269586
ΔH_f, kcal/mol:	-281.65
Dipole, Da:	2.44
IP(EA), eV:	-8.75(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,3Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-9-oxocyclonon-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1[C@H](CC/C(=C\C[C@@H](C1=O)C(=O)OC(C)(C)C)/C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations