Geometry & MOs

Info

ID:	166752
PubChem CID:	74728658
Reduced:	FSO2N4C22H24 (1)
Stoich.:	ABC2D4E22F24 (1)
Weight, g/mol:	454.209044
ΔH_f, kcal/mol:	-33.64
Dipole, Da:	11.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.879174
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1F)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

DOS

IR

Vibrations