Geometry & MOs

Info

ID:	390476
PubChem CID:	134999324
Reduced:	SiO3C17H30 (1)
Stoich.:	AB3C17D30 (1)
Weight, g/mol:	298.196651
ΔH_f, kcal/mol:	-188.49
Dipole, Da:	3.19
IP(EA), eV:	-8.64(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1S,2R,7S,9R)-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.02,7]undecan-5-yl]-4-methylpentan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations