Geometry & MOs

Info

ID:	89767
PubChem CID:	49964420
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	441.142367
ΔH_f, kcal/mol:	-102.01
Dipole, Da:	6.12
IP(EA), eV:	-8.56(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1O)C(C)C)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3

DOS

IR

Vibrations