Geometry & MOs

Info

ID:	380691
PubChem CID:	134971215
Reduced:	NO5C25H33 (1)
Stoich.:	AB5C25D33 (1)
Weight, g/mol:	444.217945
ΔH_f, kcal/mol:	-189.54
Dipole, Da:	5.84
IP(EA), eV:	-9.18(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3R,4R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydroxy-6-phenylmethoxyhexanoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N[C@H]([C@@H](C)C(=O)O)[C@@H]([C@@H]2COC(O2)(C)C)OCC3=CC=CC=C3

DOS

IR

Vibrations