Geometry & MOs

Info

ID:	129775
PubChem CID:	51073817
Reduced:	ON4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	304.088164
ΔH_f, kcal/mol:	25.98
Dipole, Da:	3.51
IP(EA), eV:	-8.93(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-(1-butyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoic acid

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)CN(C)C2=NC=CC=N2

DOS

IR

Vibrations