Geometry & MOs

Info

ID:

66978

PubChem CID:

46505629

Reduced:

ClSN5O5C34H38 (1)

Stoich.:

ABC5D5E34F38 (1)

Weight, g/mol:

623.213317

ΔHf, kcal/mol:

-126.41

Dipole, Da:

4.97

IP(EA), eV:

 -8.18(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)Cl

DOS

IR

Vibrations