Geometry & MOs

Info

ID:	267030
PubChem CID:	103580493
Reduced:	BrSN2O3C10H11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	244.043712
ΔH_f, kcal/mol:	-24.16
Dipole, Da:	5.4
IP(EA), eV:	-8.86(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidine

Drug info:

PubChemData

Smile

C1CC(OC1)CSC2=C(C=C(C=N2)Br)[N+](=O)[O-]

DOS

IR

Vibrations