Geometry & MOs

Info

ID:	301147
PubChem CID:	123060251
Reduced:	NO7H29C30 (1)
Stoich.:	AB7C29D30 (1)
Weight, g/mol:	543.225702
ΔH_f, kcal/mol:	-199.81
Dipole, Da:	11.48
IP(EA), eV:	-9.0(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[(3E)-2-(3-ethoxyphenyl)-3-[hydroxy-(3-propoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)C(=O)OC)C4=CC(=CC=C4)OCC)/O

DOS

IR

Vibrations