Geometry & MOs

Info

ID:	396096
PubChem CID:	135027379
Reduced:	SH2C4N8O9 (1)
Stoich.:	AB2C4D8E9 (1)
Weight, g/mol:	268.091101
ΔH_f, kcal/mol:	24.18
Dipole, Da:	5.98
IP(EA), eV:	-10.84(-2.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2,5-difluoro-3-oxo-1H-indene-2-carboxylate

Drug info:

PubChemData

Smile

[C@H]12[C@H](N(C(=O)N1[N+](=O)[O-])[N+](=O)[O-])S/C(=N/[N+](=O)[O-])/N2[N+](=O)[O-]

DOS

IR

Vibrations