Geometry & MOs

Info

ID:	234513
PubChem CID:	92298588
Reduced:	N3O3H13C14 (1)
Stoich.:	A3B3C13D14 (1)
Weight, g/mol:	378.062755
ΔH_f, kcal/mol:	80.67
Dipole, Da:	5.65
IP(EA), eV:	-9.48(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-3-(4-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

Drug info:

PubChemData

Smile

C1C=C[C@H]2[C@H]1/C(=N\NC(=O)C3=CC=CC=C3[N+](=O)[O-])/C2

DOS

IR

Vibrations