Geometry & MOs

Info

ID:	62859
PubChem CID:	26737308
Reduced:	SO2N4H14C18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	354.206919
ΔH_f, kcal/mol:	-0.84
Dipole, Da:	8.94
IP(EA), eV:	-9.1(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S,3S,6R)-2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-1-ium-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NC4=CC=CC(=C4)C#N

DOS

IR

Vibrations