Geometry & MOs

Info

ID:	172770
PubChem CID:	75549872
Reduced:	FN4O5C26H29 (1)
Stoich.:	AB4C5D26E29 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-220.75
Dipole, Da:	8.81
IP(EA), eV:	-8.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxaline-1,4-diium-6-yl)-3-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=CC3=[N+](C(=O)C(=O)[N+](=C3C=C2NC(=O)CC4=CC=C(C=C4)F)C)C

DOS

IR

Vibrations