Geometry & MOs

Info

ID:	61714
PubChem CID:	26712040
Reduced:	N2S2O5C22H28 (1)
Stoich.:	A2B2C5D22E28 (1)
Weight, g/mol:	352.182064
ΔH_f, kcal/mol:	-186.7
Dipole, Da:	9.67
IP(EA), eV:	-9.21(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations