Geometry & MOs

Info

ID:

66949

PubChem CID:

46505575

Reduced:

SF2O2N5C31H33 (1)

Stoich.:

AB2C2D5E31F33 (1)

Weight, g/mol:

631.262854

ΔHf, kcal/mol:

-83.79

Dipole, Da:

3.77

IP(EA), eV:

 -8.97(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[3-[3-(4-benzylpiperazin-1-yl)propyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)F)CC5=CC=CC=C5

DOS

IR

Vibrations