Geometry & MOs

Info

ID:	309524
PubChem CID:	126546882
Reduced:	F2O4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	385.188923
ΔH_f, kcal/mol:	-197.74
Dipole, Da:	5.39
IP(EA), eV:	-9.23(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[(3aR,5R)-5-but-3-en-2-yl-6-oxo-4,5-dihydro-1,3-benzodioxol-3a-yl]propyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC(=C(C=C1F)OCC2=CC=CC=C2)F)[C@]34CCC(=O)C=C3OCO4

DOS

IR

Vibrations