Geometry & MOs

Info

ID:	220375
PubChem CID:	85182231
Reduced:	O12C21H22 (1)
Stoich.:	A12B21C22 (1)
Weight, g/mol:	466.311451
ΔH_f, kcal/mol:	-457.37
Dipole, Da:	7.01
IP(EA), eV:	-9.29(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methyl-5-oxoheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl] acetate

Drug info:

PubChemData

Smile

COC1=C(C2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3O)OC4C(C(C(C(O4)CO)O)O)O)OC

DOS

IR

Vibrations