Geometry & MOs

Info

ID:	88243
PubChem CID:	49902518
Reduced:	BrSN2O6H11C18 (1)
Stoich.:	ABC2D6E11F18 (1)
Weight, g/mol:	648.94194
ΔH_f, kcal/mol:	-78.59
Dipole, Da:	5.59
IP(EA), eV:	-9.68(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)[N+](=O)[O-]

DOS

IR

Vibrations