Geometry & MOs

Info

ID:	313675
PubChem CID:	126617134
Reduced:	ClSF3O3N5H23C26 (1)
Stoich.:	ABC3D3E5F23G26 (1)
Weight, g/mol:	579.205547
ΔH_f, kcal/mol:	-170.91
Dipole, Da:	2.58
IP(EA), eV:	-9.03(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations