Geometry & MOs

Info

ID:	66862
PubChem CID:	46505394
Reduced:	ClSO3N4C27H33 (1)
Stoich.:	ABC3D4E27F33 (1)
Weight, g/mol:	566.256292
ΔH_f, kcal/mol:	-88.11
Dipole, Da:	4.52
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCN3CCC(CC3)C)CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations