Geometry & MOs

Info

ID:

440224

PubChem CID:

135230155

Reduced:

BrClN2S2O4C32H38 (1)

Stoich.:

ABC2D2E4F32G38 (1)

Weight, g/mol:

596.214542

ΔHf, kcal/mol:

-121.64

Dipole, Da:

1.57

IP(EA), eV:

 -9.47(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[(4-chlorophenyl)methyl]-1-N-(cyclohexylmethyl)-4-N-cyclopentyl-1-N-(4-hydroxybutyl)benzene-1,4-disulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN(CC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=C(C=C4)Cl)C5CCCC5

DOS

IR

Vibrations