Geometry & MOs

Info

ID:	384131
PubChem CID:	134976398
Reduced:	NPO7C33H45 (1)
Stoich.:	ABC7D33E45 (1)
Weight, g/mol:	496.16509
ΔH_f, kcal/mol:	-279.77
Dipole, Da:	3.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756952
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-oxido-oxophosphanium

Drug info:

PubChemData

Smile

CC[NH+](CC)CC.C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P+](=O)[O-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations