Geometry & MOs

Info

ID:	391655
PubChem CID:	135007904
Reduced:	BNOF4C18H18 (1)
Stoich.:	ABCD4E18F18 (1)
Weight, g/mol:	321.17625
ΔH_f, kcal/mol:	-328.6
Dipole, Da:	13.68
IP(EA), eV:	-9.61(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-ethylbut-1-enyl)-1-(4-methylphenyl)sulfonylpiperidine

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CCOC(=C1C(=[NH+]C2=CC=CC=C21)C)C3=CC=CC=C3

DOS

IR

Vibrations