Geometry & MOs

Info

ID:	227934
PubChem CID:	87563087
Reduced:	NF2S2O3H7C12 (1)
Stoich.:	AB2C2D3E7F12 (1)
Weight, g/mol:	330.947284
ΔH_f, kcal/mol:	-74.06
Dipole, Da:	2.09
IP(EA), eV:	-9.33(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)SC2=C(C=C(S2)CC=O)[N+](=O)[O-]

DOS

IR

Vibrations