Geometry & MOs

Info

ID:	171222
PubChem CID:	75344970
Reduced:	ClSN2O9H21C27 (1)
Stoich.:	ABC2D9E21F27 (1)
Weight, g/mol:	492.970912
ΔH_f, kcal/mol:	-187.59
Dipole, Da:	7.62
IP(EA), eV:	-9.04(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-chlorophenoxy)ethyl]-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC=C3Cl)OC4=C(C=C(C=C4)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations