Geometry & MOs

Info

ID:	137125
PubChem CID:	52155410
Reduced:	NO6H22C23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	409.152537
ΔH_f, kcal/mol:	-141.65
Dipole, Da:	8.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777066
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-methyl-5-(4-propoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)[C@@H]2C(=C(C3=CC4=C(C=C3)OCCO4)[O-])C(=O)C(=O)N2C

DOS

IR

Vibrations