Geometry & MOs

Info

ID:	204440
PubChem CID:	79966326
Reduced:	NS2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	248.01864
ΔH_f, kcal/mol:	-11.71
Dipole, Da:	2.09
IP(EA), eV:	-8.74(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidine

Drug info:

PubChemData

Smile

CCCNC(CC(=C)C)C1CSCCS1

DOS

IR

Vibrations