Geometry & MOs

Info

ID:	87394
PubChem CID:	49894480
Reduced:	ClSN2O6H21C27 (1)
Stoich.:	ABC2D6E21F27 (1)
Weight, g/mol:	460.109293
ΔH_f, kcal/mol:	-157.11
Dipole, Da:	9.5
IP(EA), eV:	-8.83(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(5-benzyl-2-hydroxy-3-nitrophenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations