Geometry & MOs

Info

ID:	382837
PubChem CID:	134974214
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	280.182715
ΔH_f, kcal/mol:	-94.61
Dipole, Da:	3.96
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8R)-11-cyclopenta-2,4-dien-1-ylidenespiro[12-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,1'-cyclopentane]

Drug info:

PubChemData

Smile

C1CC2CC1C(C2=O)CSC3=CC=CC(=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations