Geometry & MOs

Info

ID:	31929
PubChem CID:	3723613
Reduced:	OSN2F3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	444.094392
ΔH_f, kcal/mol:	-157.78
Dipole, Da:	4.59
IP(EA), eV:	-9.14(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC2=CC=C(C=C2)C(F)(F)F)C(=O)C

DOS

IR

Vibrations