Geometry & MOs

Info

ID:

66941

PubChem CID:

46505560

Reduced:

SF2O4N5C33H35 (1)

Stoich.:

AB2C4D5E33F35 (1)

Weight, g/mol:

619.238389

ΔHf, kcal/mol:

-173.87

Dipole, Da:

1.85

IP(EA), eV:

 -8.56(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCN3CCN(CC3)C4=CC=C(C=C4)F)CC(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations