Geometry & MOs

Info

ID:	400129
PubChem CID:	135045825
Reduced:	OSN2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	490.235539
ΔH_f, kcal/mol:	39.26
Dipole, Da:	1.39
IP(EA), eV:	-8.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4S,5R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2C=NC3C=CC=CN3C2=O

DOS

IR

Vibrations