Geometry & MOs

Info

ID:	398276
PubChem CID:	135032635
Reduced:	NO6C18H19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	544.282489
ΔH_f, kcal/mol:	-182.55
Dipole, Da:	4.39
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R)-6-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane

Drug info:

PubChemData

Smile

C1C(=NO[C@@]12C(C([C@@H](C(O2)CO)O)O)O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations