Geometry & MOs

Info

ID:	46995
PubChem CID:	10528824
Reduced:	NaCl2N4O4H17C21 (1)
Stoich.:	AB2C4D4E17F21 (1)
Weight, g/mol:	484.11528
ΔH_f, kcal/mol:	-161.85
Dipole, Da:	9.27
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,5R)-2,3-bis(phenylmethoxymethyl)-5-phenylseleninyloxolane

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)NC(=O)/C=C/C2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)[O-])NC(=O)N.[Na+]

DOS

IR

Vibrations