Geometry & MOs

Info

ID:	193212
PubChem CID:	78357093
Reduced:	OSN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	465.145534
ΔH_f, kcal/mol:	-35.08
Dipole, Da:	5.27
IP(EA), eV:	-9.09(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-1-(3-imidazolidin-1-ium-1-ylpropyl)-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CCSC1NC(C(C(=O)N1)CC2=CC=CC=C2)C

DOS

IR

Vibrations