Geometry & MOs

Info

ID:	262233
PubChem CID:	103278222
Reduced:	SCl2O2N4H6C11 (1)
Stoich.:	AB2C2D4E6F11 (1)
Weight, g/mol:	308.02727
ΔH_f, kcal/mol:	19.67
Dipole, Da:	1.55
IP(EA), eV:	-9.61(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromofuran-2-yl)-2-piperazin-1-ylpyrimidine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)NC2=CN=C(C=N2)Cl)Cl)C#N

DOS

IR

Vibrations