Geometry & MOs

Info

ID:	397886
PubChem CID:	135030907
Reduced:	BrO9C13H17 (1)
Stoich.:	AB9C13D17 (1)
Weight, g/mol:	506.285236
ΔH_f, kcal/mol:	-394.52
Dipole, Da:	7.01
IP(EA), eV:	-10.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-6-hydroxytridec-3-en-7-yn-5-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C(C([C@H](OC1C(=O)OC)Br)OC(=O)C)OC(=O)C

DOS

IR

Vibrations