Geometry & MOs

Info

ID:	171173
PubChem CID:	75339138
Reduced:	ClSN2O6H11C17 (1)
Stoich.:	ABC2D6E11F17 (1)
Weight, g/mol:	416.031437
ΔH_f, kcal/mol:	-175.73
Dipole, Da:	4.4
IP(EA), eV:	-9.26(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[[3-(2-amino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzene-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC(=O)N)Cl)C(=O)O

DOS

IR

Vibrations