Geometry & MOs

Info

ID:	151229
PubChem CID:	53790929
Reduced:	BrFON2C22H26 (1)
Stoich.:	ABCD2E22F26 (1)
Weight, g/mol:	369.233765
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	5.56
IP(EA), eV:	-9.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-N,2,2-trimethyl-7-[(1S,2S,3R,4R)-3-(propylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1NC(=O)C2=C(C(=C(N=C2C)C)CC=CC)Br)CC)F

DOS

IR

Vibrations