Geometry & MOs

Info

ID:

66950

PubChem CID:

46505577

Reduced:

FSO4N5C34H38 (1)

Stoich.:

ABC4D5E34F38 (1)

Weight, g/mol:

591.207089

ΔHf, kcal/mol:

-132.03

Dipole, Da:

1.87

IP(EA), eV:

 -8.41(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCN3CCN(CC3)CC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations