Geometry & MOs

Info

ID:	300718
PubChem CID:	123051058
Reduced:	FNO6H24C28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	475.143116
ΔH_f, kcal/mol:	-211.65
Dipole, Da:	5.34
IP(EA), eV:	-9.14(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-2-(3-hydroxyphenyl)-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCC(C)OC(=O)C1=CC(=CC=C1)N2C(/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C2=O)C4=CC(=CC=C4)O

DOS

IR

Vibrations