Geometry & MOs

Info

ID:

66892

PubChem CID:

46505471

Reduced:

SN5O5C30H39 (1)

Stoich.:

AB5C5D30E39 (1)

Weight, g/mol:

573.217653

ΔHf, kcal/mol:

-154.57

Dipole, Da:

8.92

IP(EA), eV:

 -8.44(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCN3CCN(CC3)C)C4=CC=C(C=C4)C(=O)OCC

DOS

IR

Vibrations