Geometry & MOs

Info

ID:	165514
PubChem CID:	74560101
Reduced:	ON3C20H28 (1)
Stoich.:	AB3C20D28 (1)
Weight, g/mol:	381.101251
ΔH_f, kcal/mol:	28.62
Dipole, Da:	3.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752277
Charge, e:	-2

Chem-info

IUPAC name:

3-[2-(3-fluorophenyl)-3-[(4-methylphenyl)-oxidomethylidene]-4,5-dioxopyrrolidin-1-yl]propanoate

Drug info:

PubChemData

Smile

C[NH+](C)CCCNCC(CN1C2=CC=CC=C2C3=CC=CC=C31)O

DOS

IR

Vibrations