Geometry & MOs

Info

ID:	191580
PubChem CID:	78164845
Reduced:	SO3F4N4C23H32 (1)
Stoich.:	AB3C4D4E23F32 (1)
Weight, g/mol:	468.19619
ΔH_f, kcal/mol:	-309.72
Dipole, Da:	4.66
IP(EA), eV:	-8.57(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1C(F)(F)F)C(=O)C2(CCN(CC2)S(=O)(=O)C3CCC4C(C3)CNN4)F

DOS

IR

Vibrations