Geometry & MOs

Info

ID:	46810
PubChem CID:	10527483
Reduced:	ClFPN2O8H15C16 (1)
Stoich.:	ABCD2E8F15G16 (1)
Weight, g/mol:	448.246513
ΔH_f, kcal/mol:	-417.48
Dipole, Da:	3.66
IP(EA), eV:	-9.6(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3'S,4'S)-4,6-ditert-butyl-3',4'-bis(trimethylsilyl)spiro[1,3-benzodioxole-2,5'-oxolane]-2'-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP3(=O)OCC4=C(O3)C=CC(=C4)Cl)O

DOS

IR

Vibrations