Geometry & MOs

Info

ID:	314680
PubChem CID:	126622706
Reduced:	FSCl2N3O4H30C35 (1)
Stoich.:	ABC2D3E4F30G35 (1)
Weight, g/mol:	620.170511
ΔH_f, kcal/mol:	-77.98
Dipole, Da:	4.32
IP(EA), eV:	-8.8(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(trifluoromethylsulfonyl)piperazin-1-yl]-1-tritylindazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1N2C(=C3C=C(C=CC3=N2)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6CCN(CC6)S(=O)(=O)C7=CC=CC(=C7F)C(=O)O

DOS

IR

Vibrations