Geometry & MOs

Info

ID:	160945
PubChem CID:	57390337
Reduced:	SO3N4C26H34 (1)
Stoich.:	AB3C4D26E34 (1)
Weight, g/mol:	436.192899
ΔH_f, kcal/mol:	-47.96
Dipole, Da:	5.49
IP(EA), eV:	-8.18(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-fluoro-2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride

Drug info:

PubChemData

Smile

CCN(CCCCN1CCN(CC1)C2=CC=CC=C2OC)S(=O)(=O)C3=CC4=C(C=C3)N=CC=C4

DOS

IR

Vibrations