Geometry & MOs

Info

ID:	398201
PubChem CID:	135032299
Reduced:	OH4C10 (3)
Stoich.:	AB4C10 (3)
Weight, g/mol:	390.204239
ΔH_f, kcal/mol:	139.74
Dipole, Da:	3.82
IP(EA), eV:	-8.53(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(5S)-10-acetyloxy-5-methyl-4,9-dioxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C5=C(O3)C6=CC=CC=C6C7=C5C8=C(O7)C9=CC=CC=C9C1=C8C4=C2O1

DOS

IR

Vibrations