Geometry & MOs

Info

ID:

66319

PubChem CID:

46504255

Reduced:

ClSN5O5C33H38 (1)

Stoich.:

ABC5D5E33F38 (1)

Weight, g/mol:

541.272276

ΔHf, kcal/mol:

-108.06

Dipole, Da:

3.62

IP(EA), eV:

 -8.62(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C4=CC=C(C=C4)OC)C5=CC(=C(C=C5)OC)Cl

DOS

IR

Vibrations