Geometry & MOs

Info

ID:	169592
PubChem CID:	75122956
Reduced:	N2O3H22C25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	420.159317
ΔH_f, kcal/mol:	-11.93
Dipole, Da:	6.85
IP(EA), eV:	-9.52(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5H-pyrimidin-3-ium-5-yl]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC(C1=NC(=O)C2C=CC=CC2=N1)OC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

DOS

IR

Vibrations