Geometry & MOs

Info

ID:	217814
PubChem CID:	85088426
Reduced:	Cl2N5O5H13C14 (1)
Stoich.:	A2B5C5D13E14 (1)
Weight, g/mol:	400.97213
ΔH_f, kcal/mol:	-141.92
Dipole, Da:	4.4
IP(EA), eV:	-9.2(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(=C(Cl)Cl)OC1N2C=NC3=C(N=CN=C32)N)OC(=O)C

DOS

IR

Vibrations