Geometry & MOs

Info

ID:	394923
PubChem CID:	135024176
Reduced:	O5C21H26 (1)
Stoich.:	A5B21C26 (1)
Weight, g/mol:	446.230453
ΔH_f, kcal/mol:	-178.26
Dipole, Da:	3.96
IP(EA), eV:	-8.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[C@H]2C[C@@H](C[C@H](O2)CCOCC3=CC=CC=C3)O)O

DOS

IR

Vibrations