Geometry & MOs

Info

ID:	149587
PubChem CID:	53789261
Reduced:	FN3H10C16 (1)
Stoich.:	AB3C10D16 (1)
Weight, g/mol:	415.221486
ΔH_f, kcal/mol:	263.67
Dipole, Da:	3.85
IP(EA), eV:	-8.45(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(1R,2R,3S,4S)-3-(cyclohexylmethylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methylsulfanyl]-N-hydroxy-N-methylpentanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=CC(=C2C4=NC(=NC3=C4)N)F

DOS

IR

Vibrations