Geometry & MOs

Info

ID:	133199
PubChem CID:	51492057
Reduced:	ClN2O4H19C24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	357.06421
ΔH_f, kcal/mol:	-47.0
Dipole, Da:	1.84
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3R,3aS,6aS)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-oxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-4-olate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations