Geometry & MOs

Info

ID:	302951
PubChem CID:	124403852
Reduced:	ClSN2O4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	443.224263
ΔH_f, kcal/mol:	-143.2
Dipole, Da:	7.32
IP(EA), eV:	-8.98(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-N-methylsulfonylanilino)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H]1CCCC2=CC=CC=C12)N(C3=CC(=C(C=C3)OC)Cl)S(=O)(=O)C

DOS

IR

Vibrations