Geometry & MOs

Info

ID:	132902
PubChem CID:	51443824
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	474.1591
ΔH_f, kcal/mol:	-88.54
Dipole, Da:	4.25
IP(EA), eV:	-8.94(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3S,3aS,6aS)-3-(4-fluorophenyl)-2-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCN(CC2)C(=O)[C@H]3CC4=CC=CC=C4OC3

DOS

IR

Vibrations