Geometry & MOs

Info

ID:

189372

PubChem CID:

77846675

Reduced:

ClNO3C27H36 (1)

Stoich.:

ABC3D27E36 (1)

Weight, g/mol:

696.139315

ΔHf, kcal/mol:

-147.32

Dipole, Da:

3.58

IP(EA), eV:

 -8.42(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-S-(2-piperidin-1-ylethyl) 4-S-[4-(2-piperidin-1-ylethylsulfanylcarbothioyl)piperazine-1-carbothioyl]sulfanyl piperazine-1,4-dicarbodithioate

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)OC2=C(C3=CC=CC=C3C(=C2)Cl)CN4CCC(CC4)C(=O)O

DOS

IR

Vibrations