Geometry & MOs

Info

ID:	27630
PubChem CID:	822699
Reduced:	N2O4H14C19 (1)
Stoich.:	A2B4C14D19 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	13.1
Dipole, Da:	3.63
IP(EA), eV:	-9.34(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=C/C=C/C3=CC=CC=C3[N+](=O)[O-])C(=O)O2

DOS

IR

Vibrations