Geometry & MOs

Info

ID:	61467
PubChem CID:	26709751
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-27.42
Dipole, Da:	3.84
IP(EA), eV:	-8.31(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC=C2NC(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations