Geometry & MOs

Info

ID:	191577
PubChem CID:	78164842
Reduced:	SF3O3N4C26H29 (1)
Stoich.:	AB3C3D4E26F29 (1)
Weight, g/mol:	508.175596
ΔH_f, kcal/mol:	-206.93
Dipole, Da:	3.77
IP(EA), eV:	-9.53(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(C(C)C1=CC=CC=C1C(F)(F)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations