Geometry & MOs

Info

ID:	36777
PubChem CID:	8012586
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	408.100916
ΔH_f, kcal/mol:	-200.5
Dipole, Da:	3.51
IP(EA), eV:	-9.31(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations