Geometry & MOs

Info

ID:	209390
PubChem CID:	80664738
Reduced:	ClSF3N3H9C12 (1)
Stoich.:	ABC3D3E9F12 (1)
Weight, g/mol:	286.014303
ΔH_f, kcal/mol:	-103.29
Dipole, Da:	4.41
IP(EA), eV:	-9.13(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]-6-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)CSC2=NC=C(C=C2)C(F)(F)F)Cl

DOS

IR

Vibrations