Geometry & MOs

Info

ID:	127815
PubChem CID:	51017242
Reduced:	BO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	324.175686
ΔH_f, kcal/mol:	-128.94
Dipole, Da:	2.3
IP(EA), eV:	-9.36(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5S,6S,7S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

Drug info:

PubChemData

Smile

B1(O[C@H]2C[C@H]3C[C@@H]([C@@]2(O1)C)C3(C)C)C(=C)C=C

DOS

IR

Vibrations