Geometry & MOs

Info

ID:	80786
PubChem CID:	49836720
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	410.102431
ΔH_f, kcal/mol:	-25.96
Dipole, Da:	5.48
IP(EA), eV:	-8.35(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]sulfonyl-2H-indazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC(=CC3=NN2)N4CCNCC4

DOS

IR

Vibrations