Geometry & MOs

Info

ID:

66956

PubChem CID:

46505592

Reduced:

SN5O5C35H41 (1)

Stoich.:

AB5C5D35E41 (1)

Weight, g/mol:

635.233304

ΔHf, kcal/mol:

-124.98

Dipole, Da:

4.8

IP(EA), eV:

 -8.15(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OCC

DOS

IR

Vibrations