Geometry & MOs

Info

ID:	227874
PubChem CID:	87562802
Reduced:	ClO2F6N9H20C25 (1)
Stoich.:	AB2C6D9E20F25 (1)
Weight, g/mol:	230.041294
ΔH_f, kcal/mol:	-187.67
Dipole, Da:	14.72
IP(EA), eV:	-9.59(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-fluoro-4-methylsulfonylbenzaldehyde

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3.C1=CC(=NN2C1=NN=C2C(F)(F)F)Cl

DOS

IR

Vibrations