Geometry & MOs

Info

ID:	18355
PubChem CID:	539807
Reduced:	O12C27H38 (1)
Stoich.:	A12B27C38 (1)
Weight, g/mol:	554.236327
ΔH_f, kcal/mol:	-543.96
Dipole, Da:	3.98
IP(EA), eV:	-9.88(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5,6-triacetyloxy-2-[4-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yloxy]oxan-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)O)(C)C

DOS

IR

Vibrations