Geometry & MOs

Info

ID:	66996
PubChem CID:	46505667
Reduced:	S2N3O4C26H27 (1)
Stoich.:	A2B3C4D26E27 (1)
Weight, g/mol:	497.124312
ΔH_f, kcal/mol:	-78.9
Dipole, Da:	2.72
IP(EA), eV:	-8.44(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)OC)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations