Geometry & MOs

Info

ID:	195669
PubChem CID:	78720273
Reduced:	SF2N2O4C17H18 (1)
Stoich.:	AB2C2D4E17F18 (1)
Weight, g/mol:	397.252941
ΔH_f, kcal/mol:	-251.93
Dipole, Da:	2.24
IP(EA), eV:	-9.29(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)C2CSC3(N2C(=O)CC3)C

DOS

IR

Vibrations