Geometry & MOs

Info

ID:	82181
PubChem CID:	49855729
Reduced:	SiN3O4C17H30 (1)
Stoich.:	AB3C4D17E30 (1)
Weight, g/mol:	339.186585
ΔH_f, kcal/mol:	-176.88
Dipole, Da:	3.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.860906
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-7-oxo-2,3,8,8a-tetrahydro-1H-indolizine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/N1C[C@@H](C[C@H]1/C(=C\[N+]#N)/O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations