Geometry & MOs

Info

ID:	137130
PubChem CID:	52156342
Reduced:	NO3C13H15 (2)
Stoich.:	AB3C13D15 (2)
Weight, g/mol:	466.210387
ΔH_f, kcal/mol:	-161.12
Dipole, Da:	16.52
IP(EA), eV:	-8.17(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(2,5-dimethoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-pyrrolidin-1-ylethyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C2[C@@H](N(C(=O)C2=O)CC[NH+]3CCCC3)C4=C(C=CC(=C4)OC)OC)[O-]

DOS

IR

Vibrations