Geometry & MOs

Info

ID:	313631
PubChem CID:	126616756
Reduced:	SCl2O2F3N4H21C25 (1)
Stoich.:	AB2C2D3E4F21G25 (1)
Weight, g/mol:	575.102403
ΔH_f, kcal/mol:	-139.54
Dipole, Da:	4.24
IP(EA), eV:	-8.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[chloro-(4-chlorophenyl)methyl]-1-(oxan-2-yl)-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazole

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NNC3=C2C=C(C=C3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations