Geometry & MOs

Info

ID:	405565
PubChem CID:	135074468
Reduced:	BrNOF2H16C22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	574.12162
ΔH_f, kcal/mol:	35.56
Dipole, Da:	2.86
IP(EA), eV:	-9.67(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-3-iodo-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

Drug info:

PubChemData

Smile

C#CCN(CC#C)C(=O)C1([C@H]([C@@H]1C2=CC=CC=C2F)C3=CC=CC=C3F)Br

DOS

IR

Vibrations