Geometry & MOs

Info

ID:	61709
PubChem CID:	26712025
Reduced:	SN3O5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	489.175599
ΔH_f, kcal/mol:	-165.0
Dipole, Da:	8.5
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C4=CC=CC=C4OC3=O)C

DOS

IR

Vibrations