Geometry & MOs

Info

ID:	166910
PubChem CID:	74752803
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	448.260017
ΔH_f, kcal/mol:	-75.58
Dipole, Da:	8.1
IP(EA), eV:	-9.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CS(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations