Geometry & MOs

Info

ID:	231835
PubChem CID:	87574746
Reduced:	ClNSF3O4H19C20 (1)
Stoich.:	ABCD3E4F19G20 (1)
Weight, g/mol:	230.070972
ΔH_f, kcal/mol:	-295.62
Dipole, Da:	9.35
IP(EA), eV:	-9.26(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloroprop-2-enyl 8-oxabicyclo[5.1.0]octane-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC12CC(C3=C(O2)C(=CC=C3)Cl)O)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations