Geometry & MOs

Info

ID:

66937

PubChem CID:

46505553

Reduced:

SF2O3N5C31H33 (1)

Stoich.:

AB2C3D5E31F33 (1)

Weight, g/mol:

647.257769

ΔHf, kcal/mol:

-120.08

Dipole, Da:

4.99

IP(EA), eV:

 -8.41(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations