Geometry & MOs

Info

ID:	310143
PubChem CID:	126575295
Reduced:	FNS2O9H16C20 (1)
Stoich.:	ABC2D9E16F20 (1)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-251.26
Dipole, Da:	4.87
IP(EA), eV:	-8.93(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-spiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one

Drug info:

PubChemData

Smile

C=CC1=CC=C(C2=CC=CC=C12)OS(=O)(=O)CCOC3=CC(=C(C=C3[N+](=O)[O-])S(=O)(=O)O)F

DOS

IR

Vibrations