Geometry & MOs

Info

ID:	66993
PubChem CID:	46505659
Reduced:	ClSN4O4C27H33 (1)
Stoich.:	ABC4D4E27F33 (1)
Weight, g/mol:	510.230077
ΔH_f, kcal/mol:	-110.84
Dipole, Da:	4.09
IP(EA), eV:	-8.44(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCCCC3)C4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations