Geometry & MOs

Info

ID:	166475
PubChem CID:	74695448
Reduced:	O3N4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	415.166925
ΔH_f, kcal/mol:	1.39
Dipole, Da:	6.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.079900
Charge, e:	1

Chem-info

IUPAC name:

4-[(4-fluorophenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCNC(=O)C(=CC1=C(N=C2C=CC=C[NH+]2C1=O)OC3=C(C=C(C=C3)C)C)C#N

DOS

IR

Vibrations