Geometry & MOs

Info

ID:	88453
PubChem CID:	49903590
Reduced:	BrSN2O8H17C21 (1)
Stoich.:	ABC2D8E17F21 (1)
Weight, g/mol:	524.00416
ΔH_f, kcal/mol:	-167.17
Dipole, Da:	5.82
IP(EA), eV:	-9.07(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations