Geometry & MOs

Info

ID:	88499
PubChem CID:	49903895
Reduced:	ClSN2O6H15C19 (1)
Stoich.:	ABC2D6E15F19 (1)
Weight, g/mol:	557.96518
ΔH_f, kcal/mol:	-115.53
Dipole, Da:	3.02
IP(EA), eV:	-9.1(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])Cl)O

DOS

IR

Vibrations