Geometry & MOs

Info

ID:	214608
PubChem CID:	85083271
Reduced:	PO9C29H35 (1)
Stoich.:	AB9C29D35 (1)
Weight, g/mol:	558.188983
ΔH_f, kcal/mol:	-361.51
Dipole, Da:	2.32
IP(EA), eV:	-9.35(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl [2,6-dimethoxy-4-(6-oxo-9-prop-2-enyl-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl)phenyl] carbonate

Drug info:

PubChemData

Smile

COP(=O)(C(C(C(C(COCC1=CC=CC=C1)OC=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O)OC

DOS

IR

Vibrations