Geometry & MOs

Info

ID:

66324

PubChem CID:

46504316

Reduced:

SN4O5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

618.24314

ΔHf, kcal/mol:

-136.14

Dipole, Da:

2.7

IP(EA), eV:

 -8.86(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCN3CCC(CC3)CC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)C(=O)OC

DOS

IR

Vibrations