Geometry & MOs

Info

ID:	128739
PubChem CID:	51056335
Reduced:	O2N5C9H17 (1)
Stoich.:	A2B5C9D17 (1)
Weight, g/mol:	421.94914
ΔH_f, kcal/mol:	15.03
Dipole, Da:	5.09
IP(EA), eV:	-9.26(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-[(2-bromoanilino)methyl]-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CN1CN=C(N(C1)C2CCCC2)N[N+](=O)[O-]

DOS

IR

Vibrations