Geometry & MOs

Info

ID:

66943

PubChem CID:

46505566

Reduced:

SN5O5C35H41 (1)

Stoich.:

AB5C5D35E41 (1)

Weight, g/mol:

657.298491

ΔHf, kcal/mol:

-121.1

Dipole, Da:

4.49

IP(EA), eV:

 -8.93(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[2-[3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations