Geometry & MOs

Info

ID:	192481
PubChem CID:	78274364
Reduced:	SO4N5C24H25 (1)
Stoich.:	AB4C5D24E25 (1)
Weight, g/mol:	422.27673
ΔH_f, kcal/mol:	-58.18
Dipole, Da:	4.38
IP(EA), eV:	-8.56(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-1-butyl-3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-morpholin-4-yl-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C3N2C(=NN3)SCC(=O)NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

DOS

IR

Vibrations