Geometry & MOs

Info

ID:	404616
PubChem CID:	135067861
Reduced:	NSiO4C21H37 (1)
Stoich.:	ABC4D21E37 (1)
Weight, g/mol:	461.220223
ΔH_f, kcal/mol:	-221.26
Dipole, Da:	6.85
IP(EA), eV:	-9.02(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5-trimethyl-6-[(1R,2'R,6S,7S,8R)-1,3,5-trimethyl-8-(4-nitrophenyl)spiro[bicyclo[4.2.0]octa-2,4-diene-7,4'-oxolane]-2'-yl]pyran-4-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@H]1C[C@@]1(/C=C\C=C\O[Si](C)(C)C(C)(C)C)C(=O)OCC

DOS

IR

Vibrations