Geometry & MOs

Info

ID:	404650
PubChem CID:	135068536
Reduced:	O2C9H14 (2)
Stoich.:	A2B9C14 (2)
Weight, g/mol:	492.233201
ΔH_f, kcal/mol:	-170.67
Dipole, Da:	3.89
IP(EA), eV:	-9.21(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,4S,7S,9S,10R)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-oxo-2-oxatricyclo[5.2.1.04,10]decane-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)/C=C(/C)\C(CC/C(=C/CCC(=C)C)/C)O

DOS

IR

Vibrations