Geometry & MOs

Info

ID:	66990
PubChem CID:	46505653
Reduced:	FSO2N4C27H33 (1)
Stoich.:	ABC2D4E27F33 (1)
Weight, g/mol:	510.230077
ΔH_f, kcal/mol:	-96.49
Dipole, Da:	3.64
IP(EA), eV:	-8.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)C)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations