Geometry & MOs

Info

ID:	311276
PubChem CID:	126590130
Reduced:	SO2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	400.10054
ΔH_f, kcal/mol:	-65.61
Dipole, Da:	4.74
IP(EA), eV:	-8.5(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-fluoro-4-nitrophenoxy)-2-(1-propylimidazol-4-yl)-3a,7a-dihydrothieno[3,2-b]pyridine

Drug info:

PubChemData

Smile

CC[S@@](=O)CCCOC1=CC=CC(=C1)C

DOS

IR

Vibrations