Geometry & MOs

Info

ID:	395145
PubChem CID:	135024736
Reduced:	IO2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	561.34364
ΔH_f, kcal/mol:	-52.09
Dipole, Da:	4.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.877887
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutan-2-yl]oxy-6-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxane-2-carbonitrile

Drug info:

PubChemData

Smile

COC1CCCCC1[I-]2(C[C@H]2C3=CC=CC=C3)O

DOS

IR

Vibrations