Geometry & MOs

Info

ID:	322821
PubChem CID:	126671265
Reduced:	SF2O2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	210.001847
ΔH_f, kcal/mol:	-139.98
Dipole, Da:	5.2
IP(EA), eV:	-9.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorothiophen-2-yl)-2-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=C(C=CC(=C2)S(=O)(=O)C)F)F

DOS

IR

Vibrations