Geometry & MOs

Info

ID:	400458
PubChem CID:	135048004
Reduced:	C7H9 (2)
Stoich.:	A7B9 (2)
Weight, g/mol:	404.131862
ΔH_f, kcal/mol:	29.17
Dipole, Da:	0.66
IP(EA), eV:	-9.19(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(3-oxopropoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C/C=C(\C)/C(CC=C)C1=CC=CC=C1

DOS

IR

Vibrations