Geometry & MOs

Info

ID:	392124
PubChem CID:	135013165
Reduced:	O6C19H29 (2)
Stoich.:	A6B19C29 (2)
Weight, g/mol:	244.185857
ΔH_f, kcal/mol:	-531.28
Dipole, Da:	4.31
IP(EA), eV:	-9.3(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-2-ol

Drug info:

Smile

CC[C@@H]1[C@H]([C@@H](C[C@@](O1)([C@@H](C)[C@@H]([C@H](C)[C@@H]2[C@H](/C=C/C=C(/C[C@@H]([C@@H]([C@@H](/C=C(/C=C(/C(=O)O2)\OC)\C)C)O)C)\C)OC)O)O)OC(=O)/C=C/C(=O)O)C

DOS

IR

Vibrations