Geometry & MOs

Info

ID:

226614

PubChem CID:

87544416

Reduced:

O2N4C19H26 (2)

Stoich.:

A2B4C19D26 (2)

Weight, g/mol:

607.145631

ΔHf, kcal/mol:

-59.09

Dipole, Da:

2.69

IP(EA), eV:

 -8.61(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N'-(4-fluoro-3-nitrophenyl)sulfonylbenzenecarboximidamide

Drug info:

PubChemData

Smile

C1CCC[N+](CC1)(CCCCN2N=CC(=N2)C3=CC=CC=C3)OC(=O)C(=O)O[N+]4(CCCCCC4)CCCCN5N=CC(=N5)C6=CC=CC=C6

DOS

IR

Vibrations