Geometry & MOs

Info

ID:	393009
PubChem CID:	135018900
Reduced:	O2H14C19 (1)
Stoich.:	A2B14C19 (1)
Weight, g/mol:	419.205636
ΔH_f, kcal/mol:	32.48
Dipole, Da:	1.78
IP(EA), eV:	-8.19(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3aR,4S,6R,6aR)-4-azido-2,2-dimethyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-2-methylpropanoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C#CC3=CC=CC=C3O

DOS

IR

Vibrations