Geometry & MOs

Info

ID:	143661
PubChem CID:	53245159
Reduced:	FCl2N2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	403.156577
ΔH_f, kcal/mol:	-7.96
Dipole, Da:	5.17
IP(EA), eV:	-8.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[4-[2-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCN(C2=C(C1)C=CC(=C2)F)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations