Geometry & MOs

Info

ID:

66916

PubChem CID:

46505508

Reduced:

SN5O5C37H45 (1)

Stoich.:

AB5C5D37E45 (1)

Weight, g/mol:

629.303576

ΔHf, kcal/mol:

-133.06

Dipole, Da:

4.52

IP(EA), eV:

 -8.42(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OCC

DOS

IR

Vibrations