Geometry & MOs

Info

ID:	59203
PubChem CID:	24775725
Reduced:	N2S2O4H22C25 (1)
Stoich.:	A2B2C4D22E25 (1)
Weight, g/mol:	490.026884
ΔH_f, kcal/mol:	-41.82
Dipole, Da:	6.04
IP(EA), eV:	-8.68(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5E)-4-oxo-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-3-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)NC4=CC=CC=C4C(=O)O

DOS

IR

Vibrations