Geometry & MOs

Info

ID:	404514
PubChem CID:	135066575
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	476.143734
ΔH_f, kcal/mol:	-61.01
Dipole, Da:	2.54
IP(EA), eV:	-9.75(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5S)-5-(1,3-dioxoisoindol-2-yl)-7-(2-trimethylsilylethylsulfonyl)-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate

Drug info:

PubChemData

Smile

CCCCC[C@@H]1[C@](O1)(CO)C2=CC=CC=C2

DOS

IR

Vibrations