Geometry & MOs

Info

ID:	171584
PubChem CID:	75399098
Reduced:	ClFSO2N4C15H16 (1)
Stoich.:	ABCD2E4F15G16 (1)
Weight, g/mol:	433.96152
ΔH_f, kcal/mol:	-72.69
Dipole, Da:	5.93
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-bromo-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-chloropyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCN(CC2)C3=CC(=NC=N3)Cl

DOS

IR

Vibrations