Geometry & MOs

Info

ID:	302801
PubChem CID:	124396122
Reduced:	SN2O5C20H28 (1)
Stoich.:	AB2C5D20E28 (1)
Weight, g/mol:	416.99603
ΔH_f, kcal/mol:	-177.91
Dipole, Da:	3.48
IP(EA), eV:	-8.36(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(3-bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=N[C@H]1C2=CC(=C(C(=C2)OC)OC)OC)SC(C)C)C

DOS

IR

Vibrations