Geometry & MOs

Info

ID:	79189
PubChem CID:	49747320
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-176.74
Dipole, Da:	6.28
IP(EA), eV:	-9.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3CCC(=O)N3

DOS

IR

Vibrations