Geometry & MOs

Info

ID:	227933
PubChem CID:	87563086
Reduced:	OSCl2N3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	314.983542
ΔH_f, kcal/mol:	1.51
Dipole, Da:	3.04
IP(EA), eV:	-8.45(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2,4-difluorophenyl)sulfanyl-4-nitrothiophen-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)NC(=S)NC(=O)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations