Geometry & MOs

Info

ID:	300715
PubChem CID:	123051052
Reduced:	FNO6H24C27 (1)
Stoich.:	ABC6D24E27 (1)
Weight, g/mol:	495.148201
ΔH_f, kcal/mol:	-199.31
Dipole, Da:	2.83
IP(EA), eV:	-8.13(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C2=O)C4=CC(=CC=C4)O)OCC

DOS

IR

Vibrations