Geometry & MOs

Info

ID:	181705
PubChem CID:	76781863
Reduced:	FSN3O5C23H24 (1)
Stoich.:	ABC3D5E23F24 (1)
Weight, g/mol:	297.101251
ΔH_f, kcal/mol:	-193.43
Dipole, Da:	7.54
IP(EA), eV:	-8.97(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-fluoro-2-nitrophenoxy)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)NC3=C(C=C(C=C3)F)OC4CCCC5C4OC(O5)(C)C)C(=O)O

DOS

IR

Vibrations