Geometry & MOs

Info

ID:	88514
PubChem CID:	49903987
Reduced:	BrSN2O6H21C29 (1)
Stoich.:	ABC2D6E21F29 (1)
Weight, g/mol:	509.02964
ΔH_f, kcal/mol:	-44.52
Dipole, Da:	9.09
IP(EA), eV:	-8.98(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])Br)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations