Geometry & MOs

Info

ID:	128562
PubChem CID:	51050013
Reduced:	NSO3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	426.222636
ΔH_f, kcal/mol:	-177.48
Dipole, Da:	3.78
IP(EA), eV:	-9.38(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoct-2-enoate

Drug info:

PubChemData

Smile

CC(=O)SCC1CCN(CC1)C(=O)OC(C)(C)C

DOS

IR

Vibrations