Geometry & MOs

Info

ID:	208593
PubChem CID:	80550430
Reduced:	FSCl2N2H5C9 (1)
Stoich.:	ABC2D2E5F9 (1)
Weight, g/mol:	305.959681
ΔH_f, kcal/mol:	14.25
Dipole, Da:	0.64
IP(EA), eV:	-9.18(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CSC(=C1)CC2=NC(=C(C(=N2)Cl)F)Cl

DOS

IR

Vibrations