Geometry & MOs

Info

ID:	381164
PubChem CID:	134971815
Reduced:	N2O2C10H11 (1)
Stoich.:	A2B2C10D11 (1)
Weight, g/mol:	834.307154
ΔH_f, kcal/mol:	-20.22
Dipole, Da:	7.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758916
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-2,3-dibenzoyloxy-3-[(2S,3R,4S,6S)-3-benzoyloxy-4-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)-6-methoxyoxan-2-yl]propyl] benzoate

Drug info:

PubChemData

Smile

C[N+]1=NC(=O)OC[C@H]1C2=CC=CC=C2

DOS

IR

Vibrations