Geometry & MOs

Info

ID:	142925
PubChem CID:	53116697
Reduced:	N3O5C29H29 (1)
Stoich.:	A3B5C29D29 (1)
Weight, g/mol:	432.188292
ΔH_f, kcal/mol:	-83.92
Dipole, Da:	2.04
IP(EA), eV:	-8.27(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3=CN=C(N=C3)OC4=CC=C(C=C4)OC)OCC

DOS

IR

Vibrations