Geometry & MOs

Info

ID:	300716
PubChem CID:	123051053
Reduced:	FNO5H22C30 (1)
Stoich.:	ABC5D22E30 (1)
Weight, g/mol:	475.143116
ΔH_f, kcal/mol:	-123.74
Dipole, Da:	5.86
IP(EA), eV:	-8.48(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(/C(=C(\C4=CC=C(C=C4)F)/O)/C(=O)C3=O)C5=CC(=CC=C5)O

DOS

IR

Vibrations