Geometry & MOs

Info

ID:	193013
PubChem CID:	78337139
Reduced:	O2S3N4H22C24 (1)
Stoich.:	A2B3C4D22E24 (1)
Weight, g/mol:	432.179755
ΔH_f, kcal/mol:	25.17
Dipole, Da:	2.81
IP(EA), eV:	-8.77(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)SC3NC4C(C(=CS4)C5=CC=CC=C5)C(=O)N3

DOS

IR

Vibrations