Geometry & MOs

Info

ID:	195044
PubChem CID:	78626525
Reduced:	SF2N4O4H16C17 (1)
Stoich.:	AB2C4D4E16F17 (1)
Weight, g/mol:	386.067436
ΔH_f, kcal/mol:	-93.41
Dipole, Da:	8.25
IP(EA), eV:	-8.99(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-5-[2-(2,5-dichlorophenoxy)acetyl]-3-methyl-1-propyl-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OC(F)F)C=NNC(=S)NC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations