Geometry & MOs

Info

ID:

440226

PubChem CID:

135230157

Reduced:

BrClN2S2O4C32H38 (1)

Stoich.:

ABC2D2E4F32G38 (1)

Weight, g/mol:

617.189725

ΔHf, kcal/mol:

-119.66

Dipole, Da:

0.46

IP(EA), eV:

 -9.48(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[(4-chlorophenyl)methyl]-4-N-cyclopentyl-1-N-(piperidin-4-ylmethyl)-1-N-(pyrazin-2-ylmethyl)benzene-1,4-disulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN(CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=C(C=C4)Cl)C5CCCC5

DOS

IR

Vibrations