Geometry & MOs

Info

ID:

66868

PubChem CID:

46505405

Reduced:

ClSN4O4C27H33 (1)

Stoich.:

ABC4D4E27F33 (1)

Weight, g/mol:

586.201669

ΔHf, kcal/mol:

-120.2

Dipole, Da:

1.78

IP(EA), eV:

 -8.41(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[2-[1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCN2C(C(=O)N(C2=S)C3=CC(=C(C=C3)OC)Cl)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations