Geometry & MOs

Info

ID:	19841
PubChem CID:	573967
Reduced:	ClNSF3O5H9C14 (1)
Stoich.:	ABCD3E5F9G14 (1)
Weight, g/mol:	394.984206
ΔH_f, kcal/mol:	-224.12
Dipole, Da:	8.23
IP(EA), eV:	-10.2(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-difluoro-1-(2-fluorophenyl)-2-nitroethyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C([N+](=O)[O-])(F)F)OS(=O)(=O)C2=CC=C(C=C2)Cl)F

DOS

IR

Vibrations