Geometry & MOs

Info

ID:	194654
PubChem CID:	78568262
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	392.154108
ΔH_f, kcal/mol:	-102.34
Dipole, Da:	7.69
IP(EA), eV:	-9.42(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCCC4=CC=CC=C34

DOS

IR

Vibrations