Geometry & MOs

Info

ID:	218522
PubChem CID:	85089567
Reduced:	FN4O5H21C25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	476.241018
ΔH_f, kcal/mol:	-137.94
Dipole, Da:	5.66
IP(EA), eV:	-8.56(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8-acetyloxy-2,2-dimethyl-5-phenylmethoxy-3a,4a,5,6,7,8,8a,8b-octahydro-[1,3]dioxolo[4,5-b][1]benzofuran-7-yl)butyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC4=CN=C(N=C43)N)F)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations