Geometry & MOs

Info

ID:	191493
PubChem CID:	78154212
Reduced:	SO4N5C19H27 (1)
Stoich.:	AB4C5D19E27 (1)
Weight, g/mol:	355.14063
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	8.01
IP(EA), eV:	-9.27(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,3-dioxoquinoxalin-1-ium-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NN2)N3CC(CC3=O)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations