Geometry & MOs

Info

ID:	380438
PubChem CID:	134970886
Reduced:	LiO2H17C24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	319.199488
ΔH_f, kcal/mol:	8.91
Dipole, Da:	7.65
IP(EA), eV:	-7.74(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-1,2-dihydroxy-5-[(2R)-2-(methoxymethoxy)cyclopropyl]pentan-3-yl]carbamate

Drug info:

PubChemData

Smile

[Li+].COCOC1=CC2=C(C=[C-]1)C3=CC4=CC=CC=C4C=C3C5=CC=CC=C52

DOS

IR

Vibrations