Geometry & MOs

Info

ID:	29309
PubChem CID:	832906
Reduced:	ClN2O2H9C13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	296.061949
ΔH_f, kcal/mol:	60.21
Dipole, Da:	3.52
IP(EA), eV:	-9.31(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NC2=CC=CC=C2Cl)[N+](=O)[O-]

DOS

IR

Vibrations