Geometry & MOs

Info

ID:	161798
PubChem CID:	57392712
Reduced:	NF3O4H20C25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	384.135508
ΔH_f, kcal/mol:	-260.5
Dipole, Da:	9.54
IP(EA), eV:	-9.75(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-N-hydroxybutanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=CC=CC3=C2OC4=C(CC3)C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations