Geometry & MOs

Info

ID:	300723
PubChem CID:	123051065
Reduced:	BrFNO4H15C23 (1)
Stoich.:	ABCD4E15F23 (1)
Weight, g/mol:	489.158766
ΔH_f, kcal/mol:	-109.67
Dipole, Da:	4.95
IP(EA), eV:	-9.07(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C2/C(=C(\C3=CC=C(C=C3)F)/O)/C(=O)C(=O)N2C4=CC=C(C=C4)Br

DOS

IR

Vibrations