Geometry & MOs

Info

ID:	161072
PubChem CID:	57390677
Reduced:	FN5H20C24 (1)
Stoich.:	AB5C20D24 (1)
Weight, g/mol:	502.02631
ΔH_f, kcal/mol:	101.3
Dipole, Da:	3.35
IP(EA), eV:	-8.2(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-6-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-pyrimidine-2-thione

Drug info:

PubChemData

Smile

C1[C@@H](NN=C1C2=CC=C(C=C2)N)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations