Geometry & MOs

Info

ID:	66882
PubChem CID:	46505450
Reduced:	FS2O3N4C22H23 (1)
Stoich.:	AB2C3D4E22F23 (1)
Weight, g/mol:	444.146741
ΔH_f, kcal/mol:	-112.3
Dipole, Da:	4.98
IP(EA), eV:	-8.53(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NCCN1C(C(=O)N(C1=S)C2=CC(=CC=C2)SC)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations