Geometry & MOs

Info

ID:	405729
PubChem CID:	135075169
Reduced:	O5C16H16 (1)
Stoich.:	A5B16C16 (1)
Weight, g/mol:	572.332187
ΔH_f, kcal/mol:	-130.54
Dipole, Da:	4.48
IP(EA), eV:	-9.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]-4-phenylmethoxybutan-1-ol

Drug info:

PubChemData

Smile

COC(=O)/C=C/OC(CC1=CC=CC=C1)C#CC(=O)OC

DOS

IR

Vibrations