Geometry & MOs

Info

ID:	232227
PubChem CID:	87575751
Reduced:	ClNSF3O5H9C14 (1)
Stoich.:	ABCD3E5F9G14 (1)
Weight, g/mol:	532.162135
ΔH_f, kcal/mol:	-250.3
Dipole, Da:	2.53
IP(EA), eV:	-10.44(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-(3,5-diaminophenyl)-2-[2-[4-(1,1,2,2-tetrafluoroethoxy)benzoyl]oxyphenyl]hex-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)[N+](=O)[O-])CC2=C(C=CC(=C2)Cl)S(=O)(=O)O)C(F)(F)F

DOS

IR

Vibrations