Geometry & MOs

Info

ID:	223760
PubChem CID:	85335536
Reduced:	O4N10C25H34 (1)
Stoich.:	A4B10C25D34 (1)
Weight, g/mol:	539.196666
ΔH_f, kcal/mol:	-93.1
Dipole, Da:	7.54
IP(EA), eV:	-8.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylidene-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NCCCCCN)C(=O)O

DOS

IR

Vibrations