Geometry & MOs

Info

ID:	380772
PubChem CID:	134971326
Reduced:	Si2O3C33H62 (1)
Stoich.:	A2B3C33D62 (1)
Weight, g/mol:	390.240624
ΔH_f, kcal/mol:	-288.25
Dipole, Da:	2.82
IP(EA), eV:	-8.7(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-7-(2-hexyl-1,3-dioxolan-2-yl)-2-phenylmethoxyhept-4-yne-1,3-diol

Drug info:

PubChemData

Smile

CCCCCC[C@H](CC/C=C/[C@@H]([C@H](C)OCC1=CC=CC=C1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations