Geometry & MOs

Info

ID:	66973
PubChem CID:	46505617
Reduced:	SO3N4C29H38 (1)
Stoich.:	AB3C4D29E38 (1)
Weight, g/mol:	526.24139
ΔH_f, kcal/mol:	-91.34
Dipole, Da:	2.38
IP(EA), eV:	-8.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCC(CC3)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations