Geometry & MOs

Info

ID:	420036
PubChem CID:	135110826
Reduced:	FO3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	317.104542
ΔH_f, kcal/mol:	-39.21
Dipole, Da:	3.78
IP(EA), eV:	-8.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylamino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NCCCN2C=CC=N2)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations