Geometry & MOs

Info

ID:	313667
PubChem CID:	126616857
Reduced:	ClSO2N3F6H22C27 (1)
Stoich.:	ABC2D3E6F22G27 (1)
Weight, g/mol:	578.100239
ΔH_f, kcal/mol:	-301.46
Dipole, Da:	1.85
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)-[3-[4-(trifluoromethylsulfonyl)piperazin-1-yl]-1H-indazol-5-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C2=C3C=C(C=CC3=NN2)C(C4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)Cl)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations