Geometry & MOs

Info

ID:	83293
PubChem CID:	49857415
Reduced:	FN3O3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	483.125277
ΔH_f, kcal/mol:	-64.82
Dipole, Da:	5.34
IP(EA), eV:	-8.57(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-phenoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C2(N=C(C(=N2)N)C)C3=CC(=C(C=C3)C4=C(C=CC(=C4)OC)F)O

DOS

IR

Vibrations