Geometry & MOs

Info

ID:	156040
PubChem CID:	56368876
Reduced:	N3O4C28H35 (1)
Stoich.:	A3B4C28D35 (1)
Weight, g/mol:	436.127978
ΔH_f, kcal/mol:	-167.83
Dipole, Da:	6.67
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[methyl-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2CCCN(C2)C(=O)C3CCCN3C(=O)C4=C(C5=CC=CC=C5C=C4)O

DOS

IR

Vibrations