Geometry & MOs

Info

ID:	88403
PubChem CID:	49903308
Reduced:	BrSN3O8H16C24 (1)
Stoich.:	ABC3D8E16F24 (1)
Weight, g/mol:	678.78107
ΔH_f, kcal/mol:	-73.48
Dipole, Da:	4.87
IP(EA), eV:	-9.74(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[(3,5-diiodo-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Br

DOS

IR

Vibrations