Geometry & MOs

Info

ID:	233324
PubChem CID:	89650024
Reduced:	ClN3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	313.01137
ΔH_f, kcal/mol:	-11.13
Dipole, Da:	8.65
IP(EA), eV:	-9.8(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-2-(4-bromophenyl)-6-fluoro-1,10-dioxa-3-azaspiro[4.5]dec-2-ene

Drug info:

PubChemData

Smile

CC(C)C1=NC(=O)C=C(N1)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations