Geometry & MOs

Info

ID:	307181
PubChem CID:	125275628
Reduced:	O3C8H13 (2)
Stoich.:	A3B8C13 (2)
Weight, g/mol:	394.235948
ΔH_f, kcal/mol:	-286.34
Dipole, Da:	5.85
IP(EA), eV:	-10.03(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(2S)-2-hydroxybut-3-yn-2-yl]cyclopropyl]-5-trimethylsilylpent-4-yn-2-ol

Drug info:

PubChemData

Smile

CCC(CC)O[C@H]1[C@H](CC(=C[C@@H]1O)C(=O)OCC)OC(=O)C

DOS

IR

Vibrations