Geometry & MOs

Info

ID:	59719
PubChem CID:	24894854
Reduced:	ClNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	404.168247
ΔH_f, kcal/mol:	-10.22
Dipole, Da:	2.67
IP(EA), eV:	-9.06(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aR,5R,6R,7S,7aR)-6,7-diacetyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate

Drug info:

PubChemData

Smile

C1CCN(C1)CC(CCC2=CC=CC=C2)Cl

DOS

IR

Vibrations