Geometry & MOs

Info

ID:	80785
PubChem CID:	49836719
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	372.125612
ΔH_f, kcal/mol:	9.53
Dipole, Da:	7.72
IP(EA), eV:	-8.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)sulfonyl-6-piperazin-1-yl-2H-indazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC(=CC3=NN2)N4CCNCC4

DOS

IR

Vibrations