Geometry & MOs

Info

ID:	379868
PubChem CID:	134958995
Reduced:	ClIO2F3N3H4C7 (1)
Stoich.:	ABC2D3E3F4G7 (1)
Weight, g/mol:	512.310176
ΔH_f, kcal/mol:	-112.93
Dipole, Da:	4.59
IP(EA), eV:	-10.31(-2.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-1-cyano-2-hydroxyethenyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C=CC(=O)OC1=CN(N=N1)C([C@](F)(Cl)I)(F)F

DOS

IR

Vibrations