Geometry & MOs

Info

ID:	31222
PubChem CID:	855260
Reduced:	OSN5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	338.166414
ΔH_f, kcal/mol:	50.06
Dipole, Da:	2.84
IP(EA), eV:	-8.68(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=NN=N1)SCC(=O)N2CCC3=CC=CC=C32

DOS

IR

Vibrations