Geometry & MOs

Info

ID:	79201
PubChem CID:	49747388
Reduced:	SN4O4C21H26 (1)
Stoich.:	AB4C4D21E26 (1)
Weight, g/mol:	497.159612
ΔH_f, kcal/mol:	-121.75
Dipole, Da:	8.92
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC3=CN=CC=C3

DOS

IR

Vibrations