Geometry & MOs

Info

ID:	124189
PubChem CID:	50874135
Reduced:	FO2N7C20H20 (1)
Stoich.:	AB2C7D20E20 (1)
Weight, g/mol:	503.92494
ΔH_f, kcal/mol:	-5.99
Dipole, Da:	3.08
IP(EA), eV:	-9.13(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC(=N2)NNC(=O)C3=CC=C(C=C3)F)NC4=CC=CC=C4

DOS

IR

Vibrations