Geometry & MOs

Info

ID:	127780
PubChem CID:	51014942
Reduced:	FNO4C21H26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	396.23006
ΔH_f, kcal/mol:	-171.25
Dipole, Da:	5.29
IP(EA), eV:	-8.51(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl] 5-O-[(1R,2S,3R,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl] pentanedioate

Drug info:

PubChemData

Smile

C[C@@]12[C@@H]3C[C@@H](C3(C)C)CC1=N[C@@H](C(=O)O2)CC4=CC(=C(C=C4F)OC)OC

DOS

IR

Vibrations