Geometry & MOs

Info

ID:	233139
PubChem CID:	87692551
Reduced:	OF2C7H12 (1)
Stoich.:	AB2C7D12 (1)
Weight, g/mol:	440.072132
ΔH_f, kcal/mol:	-157.6
Dipole, Da:	0.64
IP(EA), eV:	-10.66(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(E)-[benzenesulfonyl(fluoro)hydrazinylidene]methyl]-3-chlorophenyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC(C=O)(F)F

DOS

IR

Vibrations