Geometry & MOs

Info

ID:	189057
PubChem CID:	77810641
Reduced:	SO3N4C31H34 (1)
Stoich.:	AB3C4D31E34 (1)
Weight, g/mol:	325.070358
ΔH_f, kcal/mol:	-35.64
Dipole, Da:	3.86
IP(EA), eV:	-8.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-hydroxyethyl)-7-imidazol-1-ylquinoxalin-1-ium-2,3-dione;hydrate;hydrochloride

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN(C)C(=O)C2=CC=CC(=C2)C(=O)NC(CCNC3=CC(=CC=C3)OC)CC4=CC=CC=C4

DOS

IR

Vibrations