Geometry & MOs

Info

ID:	225842
PubChem CID:	87235641
Reduced:	N3O4F6H17C29 (1)
Stoich.:	A3B4C6D17E29 (1)
Weight, g/mol:	445.130757
ΔH_f, kcal/mol:	-345.81
Dipole, Da:	7.37
IP(EA), eV:	-8.77(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NNC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)C(=O)N2C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations