Geometry & MOs

Info

ID:	392255
PubChem CID:	135013935
Reduced:	SiO5C22H40 (1)
Stoich.:	AB5C22D40 (1)
Weight, g/mol:	412.264501
ΔH_f, kcal/mol:	-302.12
Dipole, Da:	5.0
IP(EA), eV:	-8.92(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,3Z,6S,9R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,9-dimethyl-10-oxabicyclo[7.1.0]dec-3-ene-3-carboxylate

Drug info:

PubChemData

Smile

CC1[C@H](CC[C@]2(C(O2)C[C@@H](C1=O)C(=O)OC(C)(C)C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations