Geometry & MOs

Info

ID:	194906
PubChem CID:	78606500
Reduced:	NO5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	409.159732
ΔH_f, kcal/mol:	-226.38
Dipole, Da:	3.86
IP(EA), eV:	-8.89(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-3-phenylmethoxypropan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

DOS

IR

Vibrations