Geometry & MOs

Info

ID:	320645
PubChem CID:	126662327
Reduced:	NSCl2O5C9H9 (1)
Stoich.:	ABC2D5E9F9 (1)
Weight, g/mol:	309.020414
ΔH_f, kcal/mol:	-195.12
Dipole, Da:	5.28
IP(EA), eV:	-10.16(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chloro-6-fluorophenyl)methoxy]-2-nitrobenzaldehyde

Drug info:

PubChemData

Smile

CC(=O)OCCOC1=C(C=C(C=N1)Cl)S(=O)(=O)Cl

DOS

IR

Vibrations