Geometry & MOs

Info

ID:	88420
PubChem CID:	49903373
Reduced:	BrSN2O6H19C25 (1)
Stoich.:	ABC2D6E19F25 (1)
Weight, g/mol:	603.91262
ΔH_f, kcal/mol:	-65.67
Dipole, Da:	4.78
IP(EA), eV:	-8.98(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-[(2-bromophenyl)methyl]-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=C3Br)OCC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations