Geometry & MOs

Info

ID:	59245
PubChem CID:	24775820
Reduced:	N2S2O4H18C23 (1)
Stoich.:	A2B2C4D18E23 (1)
Weight, g/mol:	454.045727
ΔH_f, kcal/mol:	-38.32
Dipole, Da:	11.08
IP(EA), eV:	-8.97(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)NC4=CC=CC=C4C(=O)O)C

DOS

IR

Vibrations