Geometry & MOs

Info

ID:

161394

PubChem CID:

57391528

Reduced:

O5C39H44 (1)

Stoich.:

A5B39C44 (1)

Weight, g/mol:

597.06913

ΔHf, kcal/mol:

-145.78

Dipole, Da:

5.24

IP(EA), eV:

 -9.44(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)sulfonylamino]pentyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;bromide

Drug info:

PubChemData

Smile

C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)O)(C)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

DOS

IR

Vibrations