Geometry & MOs

Info

ID:	227662
PubChem CID:	87562181
Reduced:	ClSO2N3H4C7 (1)
Stoich.:	ABC2D3E4F7 (1)
Weight, g/mol:	444.159769
ΔH_f, kcal/mol:	-33.31
Dipole, Da:	2.71
IP(EA), eV:	-9.7(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene]-4-(1-methylindol-5-yl)-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

C1=CC(=NC2=C1N=C(S2)NC(=O)O)Cl

DOS

IR

Vibrations