Geometry & MOs

Info

ID:	133707
PubChem CID:	51577309
Reduced:	NO3H11C18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	494.124464
ΔH_f, kcal/mol:	-21.73
Dipole, Da:	3.29
IP(EA), eV:	-9.52(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,6aS)-5-(2-chlorophenyl)-2-phenyl-3-(3,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Drug info:

PubChemData

Smile

CC(=O)[C@H]1C2=C3C(=NC1=O)C=CC=C3C(=O)C4=CC=CC=C42

DOS

IR

Vibrations