Geometry & MOs

Info

ID:

66858

PubChem CID:

46505387

Reduced:

ClSN4O4C28H33 (1)

Stoich.:

ABC4D4E28F33 (1)

Weight, g/mol:

540.220655

ΔHf, kcal/mol:

-136.84

Dipole, Da:

2.75

IP(EA), eV:

 -8.94(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCN3CCC(CC3)C)CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations