Geometry & MOs

Info

ID:	188065
PubChem CID:	77663437
Reduced:	ClF4O4N5H34C35 (1)
Stoich.:	AB4C4D5E34F35 (1)
Weight, g/mol:	396.167179
ΔH_f, kcal/mol:	-323.03
Dipole, Da:	4.49
IP(EA), eV:	-9.33(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

butyl [6-(methylcarbamoylamino)-3-phenylpyrido[2,3-b]pyrazin-4-ium-4-yl] carbonate

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCC(C(C3)C4=CC=CC=C4)NCC5=C(C=CC(=C5)C6=C(C=C(C=C6)C#N)F)OC(F)(F)F.Cl

DOS

IR

Vibrations