Geometry & MOs

Info

ID:	125428
PubChem CID:	50923874
Reduced:	FN7C20H20 (1)
Stoich.:	AB7C20D20 (1)
Weight, g/mol:	498.319678
ΔH_f, kcal/mol:	65.7
Dipole, Da:	2.24
IP(EA), eV:	-8.75(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol

Drug info:

PubChemData

Smile

C1CNCCC1N2C=C(C=N2)C3=CC(=C(N=C3)N)C4=NC5=C(N4)C=C(C=C5)F

DOS

IR

Vibrations