Geometry & MOs

Info

ID:	294045
PubChem CID:	117425022
Reduced:	ClN2O4H9C11 (1)
Stoich.:	AB2C4D9E11 (1)
Weight, g/mol:	268.013635
ΔH_f, kcal/mol:	-83.9
Dipole, Da:	4.4
IP(EA), eV:	-8.44(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,1-difluoroethyl)-5-methylphenyl]methanesulfonyl chloride

Drug info:

PubChemData

Smile

COC1=C(C=C/C(=C/2\C=C(NN2)C(=O)O)/C1=O)Cl

DOS

IR

Vibrations