Geometry & MOs

Info

ID:	66859
PubChem CID:	46505388
Reduced:	FSN4O4C28H33 (1)
Stoich.:	ABC4D4E28F33 (1)
Weight, g/mol:	510.230077
ΔH_f, kcal/mol:	-167.09
Dipole, Da:	6.72
IP(EA), eV:	-8.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[1-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

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)F

DOS

IR

Vibrations