Geometry & MOs

Info

ID:	56203
PubChem CID:	17422529
Reduced:	SO3N6C16H20 (1)
Stoich.:	AB3C6D16E20 (1)
Weight, g/mol:	388.165917
ΔH_f, kcal/mol:	-21.97
Dipole, Da:	6.94
IP(EA), eV:	-9.28(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-butyl-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(C)CC2=NC(=NO2)C3=CC=CS3)N

DOS

IR

Vibrations