Geometry & MOs

Info

ID:

66931

PubChem CID:

46505545

Reduced:

SN5O5C35H41 (1)

Stoich.:

AB5C5D35E41 (1)

Weight, g/mol:

647.294154

ΔHf, kcal/mol:

-121.65

Dipole, Da:

8.67

IP(EA), eV:

 -8.61(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(4-ethoxyphenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations