Geometry & MOs

Info

ID:

66322

PubChem CID:

46504296

Reduced:

ClFSO2N5C25H29 (1)

Stoich.:

ABCD2E5F25G29 (1)

Weight, g/mol:

623.213317

ΔHf, kcal/mol:

-75.84

Dipole, Da:

2.13

IP(EA), eV:

 -8.48(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations