Geometry & MOs

Info

ID:	137136
PubChem CID:	52157570
Reduced:	SN3O5C26H33 (1)
Stoich.:	AB3C5D26E33 (1)
Weight, g/mol:	490.210387
ΔH_f, kcal/mol:	-148.92
Dipole, Da:	3.73
IP(EA), eV:	-8.41(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-(2-piperidin-1-ylethyl)-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@H]2C(=C(C(=O)N2CCN3CCCCC3)O)C(=O)C4=C(N=C(S4)C)C)OC

DOS

IR

Vibrations