Geometry & MOs

Info

ID:	184293
PubChem CID:	77141218
Reduced:	FeP2O4C28H40 (1)
Stoich.:	AB2C4D28E40 (1)
Weight, g/mol:	483.174726
ΔH_f, kcal/mol:	-139.54
Dipole, Da:	15.4
IP(EA), eV:	-6.25(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-benzylpiperazin-1-yl)-3-phenylpropan-2-yl]-4-chlorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1C2C(C(P1[C]3[CH][CH][CH][CH]3)C)OC(O2)(C)C.CC1C2C(C(P1[C]3[CH][CH][CH][CH]3)C)OC(O2)(C)C.[Fe]

DOS

IR

Vibrations