Geometry & MOs

Info

ID:	83190
PubChem CID:	49857263
Reduced:	BrNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	704.3517
ΔH_f, kcal/mol:	-105.69
Dipole, Da:	3.18
IP(EA), eV:	-10.17(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4S,6S)-7-iodo-2,6-dimethyl-1-phenylmethoxy-3-tri(propan-2-yl)silyloxyheptan-4-yl]oxy-tri(propan-2-yl)silane

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H]([C@H](C=C([C@H]2O1)Br)CC#N)O)C

DOS

IR

Vibrations