Geometry & MOs

Info

ID:

66964

PubChem CID:

46505600

Reduced:

FSO3N5C33H38 (1)

Stoich.:

ABC3D5E33F38 (1)

Weight, g/mol:

657.298491

ΔHf, kcal/mol:

-89.85

Dipole, Da:

2.06

IP(EA), eV:

 -8.23(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations