Geometry & MOs

Info

ID:	137483
PubChem CID:	52213542
Reduced:	SN2O4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	354.161329
ΔH_f, kcal/mol:	-168.52
Dipole, Da:	3.88
IP(EA), eV:	-9.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-ethyl-4-methoxybenzamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2C[C@@H](C[C@@H](C2)C)C

DOS

IR

Vibrations