Geometry & MOs

Info

ID:	392392
PubChem CID:	135015309
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	644.246891
ΔH_f, kcal/mol:	-167.36
Dipole, Da:	1.44
IP(EA), eV:	-8.88(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R,6R)-3,4-diacetyloxy-6-[[(6S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=C)COC1=CC=C(C=C1)C(C(C)(C)O)OC(=O)C

DOS

IR

Vibrations