Geometry & MOs

Info

ID:	346340
PubChem CID:	127270844
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-52.0
Dipole, Da:	9.8
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1H-indazol-7-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)NN=C2

DOS

IR

Vibrations