Geometry & MOs

Info

ID:	413779
PubChem CID:	135086729
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	506.26998
ΔH_f, kcal/mol:	47.52
Dipole, Da:	2.75
IP(EA), eV:	-8.14(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-5-[(1R)-9-ethenyl-11-methyl-3-oxo-8-triethylsilyloxy-2,6-dioxatricyclo[5.2.2.01,5]undec-4-en-4-yl]-2,4-dimethyl-5-oxopentyl] acetate

Drug info:

PubChemData

Smile

C/C(=N\O)/C1=C(C2=CC=CC=C2N1C)C=C

DOS

IR

Vibrations