Geometry & MOs

Info

ID:

66330

PubChem CID:

46504325

Reduced:

SN4O5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

651.208232

ΔHf, kcal/mol:

-171.07

Dipole, Da:

7.18

IP(EA), eV:

 -8.64(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCCCC3)C4=CC=C(C=C4)C(=O)OCC

DOS

IR

Vibrations