Geometry & MOs

Info

ID:

66952

PubChem CID:

46505583

Reduced:

SN5O5C34H39 (1)

Stoich.:

AB5C5D34E39 (1)

Weight, g/mol:

587.256626

ΔHf, kcal/mol:

-119.23

Dipole, Da:

4.07

IP(EA), eV:

 -8.17(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations