Geometry & MOs

Info

ID:	393322
PubChem CID:	135020118
Reduced:	FNOSH12C17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	282.146724
ΔH_f, kcal/mol:	13.92
Dipole, Da:	2.42
IP(EA), eV:	-8.54(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4'aS,8'aS)-3'-hydroxy-8'a-methylspiro[1,3-dioxolane-2,8'-1,4,4a,5,6,7-hexahydronaphthalene]-2'-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=CC=C2)F)S(=O)C3=CC=CC=N3

DOS

IR

Vibrations