Geometry & MOs

Info

ID:

66856

PubChem CID:

46505385

Reduced:

ClSN4O6C25H27 (1)

Stoich.:

ABC4D6E25F27 (1)

Weight, g/mol:

552.240641

ΔHf, kcal/mol:

-211.09

Dipole, Da:

6.01

IP(EA), eV:

 -8.94(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[4-[2-(4-methoxyanilino)-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)NC(=O)CC2C(=O)N(C(=S)N2CCNC(=O)C)C3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations