Geometry & MOs

Info

ID:	402101
PubChem CID:	135054356
Reduced:	CoOSi2C20H34 (1)
Stoich.:	ABC2D20E34 (1)
Weight, g/mol:	392.125988
ΔH_f, kcal/mol:	-38.87
Dipole, Da:	35.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.970607
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-benzoyl-4-hydroxy-3-oxo-8-phenyl-2-oxabicyclo[2.2.2]oct-7-ene-6-carboxylate

Drug info:

PubChemData

Smile

[CH3-].C[Si](C)(C)/C(=C/C1=CCCC1)/C(=O)[Si](C)(C)C.C1=C[CH]C=C1.[Co]

DOS

IR

Vibrations