Geometry & MOs

Info

ID:	177251
PubChem CID:	76154417
Reduced:	SN3H25C27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	688.231135
ΔH_f, kcal/mol:	114.47
Dipole, Da:	6.99
IP(EA), eV:	-8.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;1-[3-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1C(=CC2=CC=CC=C2)C3=C(CN1CC4=CC=CC=C4)C(NC(=S)N3)C5=CC=CC=C5

DOS

IR

Vibrations