Geometry & MOs

Info

ID:

66974

PubChem CID:

46505618

Reduced:

FSO3N4C28H35 (1)

Stoich.:

ABC3D4E28F35 (1)

Weight, g/mol:

569.249432

ΔHf, kcal/mol:

-125.98

Dipole, Da:

11.46

IP(EA), eV:

 -8.57(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-methylsulfanylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCC(CC3)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations