Geometry & MOs

Info

ID:	307196
PubChem CID:	125275712
Reduced:	NO3C6H7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	634.275296
ΔH_f, kcal/mol:	-164.39
Dipole, Da:	3.97
IP(EA), eV:	-10.43(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5R,6S)-2-phenylsulfanyl-3,4,5-tris(prop-2-enoxy)-6-(trityloxymethyl)oxane

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]([C@@H](C1=CC(=CC=C1)[N+](=O)[O-])O)C(=O)OC

DOS

IR

Vibrations