Geometry & MOs

Info

ID:

313666

PubChem CID:

126616847

Reduced:

SCl2N4O4H30C34 (1)

Stoich.:

AB2C4D4E30F34 (1)

Weight, g/mol:

601.102545

ΔHf, kcal/mol:

-22.91

Dipole, Da:

4.77

IP(EA), eV:

 -8.83(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazole

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=CN=C(C=C7)C(=O)O

DOS

IR

Vibrations