Geometry & MOs

Info

ID:	133686
PubChem CID:	51574322
Reduced:	O2N4C12H13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	433.107399
ΔH_f, kcal/mol:	24.73
Dipole, Da:	2.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.839899
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aR,6aR)-5-(2-fluorophenyl)-3-(2-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=C(N=C(N=N2)NCCO)[O-]

DOS

IR

Vibrations