Geometry & MOs

Info

ID:	225989
PubChem CID:	87246549
Reduced:	N2S2O3C11H12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	370.93601
ΔH_f, kcal/mol:	-73.92
Dipole, Da:	5.33
IP(EA), eV:	-8.93(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-nitrophenyl)-2-(2-chloro-6-fluorophenyl)acetaldehyde

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=NC(=C(S2)C)OS(=O)(=O)C

DOS

IR

Vibrations