Geometry & MOs

Info

ID:

66977

PubChem CID:

46505626

Reduced:

SO4N5C27H35 (1)

Stoich.:

AB4C5D27E35 (1)

Weight, g/mol:

663.228218

ΔHf, kcal/mol:

-99.65

Dipole, Da:

1.34

IP(EA), eV:

 -8.33(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN2C(C(=O)N(C2=S)C3=CC(=CC=C3)OC)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations