Geometry & MOs

Info

ID:	61716
PubChem CID:	26712100
Reduced:	SF2N2O5C22H26 (1)
Stoich.:	AB2C2D5E22F26 (1)
Weight, g/mol:	431.151492
ΔH_f, kcal/mol:	-277.39
Dipole, Da:	5.69
IP(EA), eV:	-9.15(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC(F)F)OC)C

DOS

IR

Vibrations