Geometry & MOs

Info

ID:	183269
PubChem CID:	77000152
Reduced:	BrFNSO2H13C15 (1)
Stoich.:	ABCDE2F13G15 (1)
Weight, g/mol:	228.056863
ΔH_f, kcal/mol:	-56.71
Dipole, Da:	7.48
IP(EA), eV:	-8.79(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-5-methylidene-2-(methylsulfonylmethyl)pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(CC1=CC(=CS1)Br)C2=C(C=C(C=C2)C=CC(=O)O)F

DOS

IR

Vibrations