Geometry & MOs

Info

ID:	342020
PubChem CID:	127264733
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	2.32
Dipole, Da:	5.75
IP(EA), eV:	-8.45(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=CC2=CNC3=C(C=CC=C23)CC)NC1=S

DOS

IR

Vibrations