Geometry & MOs

Info

ID:	44375
PubChem CID:	10503263
Reduced:	O5C27H36 (1)
Stoich.:	A5B27C36 (1)
Weight, g/mol:	440.238286
ΔH_f, kcal/mol:	-236.75
Dipole, Da:	5.2
IP(EA), eV:	-9.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[tert-butyl(diphenyl)silyl]oxy-2-[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C2=C3[C@@]1(CC4=C(C=CC(=C4)C(=O)O)O[C@@H]3C[C@H]5[C@]2(CC[C@H](C5(C)C)O)C)C)O

DOS

IR

Vibrations