Geometry & MOs

Info

ID:	138576
PubChem CID:	52387145
Reduced:	SN3O3C17H33 (1)
Stoich.:	AB3C3D17E33 (1)
Weight, g/mol:	347.188329
ΔH_f, kcal/mol:	-163.23
Dipole, Da:	7.34
IP(EA), eV:	-8.38(0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-[3-(2-ethyl-1H-imidazol-3-ium-3-yl)propylamino]-3-oxopropyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC[C@H](C1)CNC(=O)CCN2CCCCCCC2

DOS

IR

Vibrations