Geometry & MOs

Info

ID:	183813
PubChem CID:	77073380
Reduced:	NSO2F3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	337.01878
ΔH_f, kcal/mol:	-212.35
Dipole, Da:	5.41
IP(EA), eV:	-9.47(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(3-bromo-2-methylbenzoyl)-1,3-dimethyl-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CN(CCC(F)(F)F)CC1=CC(=CS1)C=CC(=O)O

DOS

IR

Vibrations