Geometry & MOs

Info

ID:	149853
PubChem CID:	53789532
Reduced:	S2F3N6O8H17C20 (1)
Stoich.:	A2B3C6D8E17F20 (1)
Weight, g/mol:	222.01716
ΔH_f, kcal/mol:	-328.03
Dipole, Da:	9.54
IP(EA), eV:	-10.14(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-cyclopropyl-6-(trifluoromethyl)pyrimidine

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(F)(F)F)S(=O)(=O)C2)C(=O)OCC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations