Geometry & MOs

Info

ID:

233056

PubChem CID:

87692159

Reduced:

SCl3H6C12 (2)

Stoich.:

AB3C6D12 (2)

Weight, g/mol:

588.316784

ΔHf, kcal/mol:

67.86

Dipole, Da:

0.93

IP(EA), eV:

 -9.29(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (4R)-4-[[(2R)-1-[(1-benzylpiperidin-4-yl)amino]-4-cyclohexyl-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C(=C2Cl)SSC3=C(C(=CC(=C3Cl)Cl)C4=CC=CC=C4)Cl)Cl)Cl

DOS

IR

Vibrations