Geometry & MOs

Info

ID:	79950
PubChem CID:	49831724
Reduced:	O2C11H15 (2)
Stoich.:	A2B11C15 (2)
Weight, g/mol:	562.387363
ΔH_f, kcal/mol:	-166.8
Dipole, Da:	3.85
IP(EA), eV:	-9.45(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5S)-2,4-dimethyl-1-phenylmethoxy-3,11-bis(triethylsilyloxy)undec-6-yn-5-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@]3([C@]1(CC4=C(O3)C(=O)C=C(C4=O)OC)C)CCCC2(C)C

DOS

IR

Vibrations