Geometry & MOs

Info

ID:

66921

PubChem CID:

46505518

Reduced:

ClSO3N5C32H36 (1)

Stoich.:

ABC3D5E32F36 (1)

Weight, g/mol:

573.14092

ΔHf, kcal/mol:

-44.02

Dipole, Da:

3.93

IP(EA), eV:

 -8.77(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C(=O)C(N(C2=S)CCCN3CCN(CC3)CC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations