Geometry & MOs

Info

ID:	61710
PubChem CID:	26712033
Reduced:	S2N3O4C24H31 (1)
Stoich.:	A2B3C4D24E31 (1)
Weight, g/mol:	489.175599
ΔH_f, kcal/mol:	-153.63
Dipole, Da:	5.88
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S,6S)-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)CSCC(=O)NC3=CC=CC(=C3)C)C

DOS

IR

Vibrations