Geometry & MOs

Info

ID:	204433
PubChem CID:	79965282
Reduced:	SF3N4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	349.98552
ΔH_f, kcal/mol:	-104.53
Dipole, Da:	3.79
IP(EA), eV:	-8.63(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-tert-butyl-6-chloro-2-(1,4-oxathian-2-yl)pyrimidine

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=NC(=NC(=C23)NN)CCC(F)(F)F

DOS

IR

Vibrations