Geometry & MOs

Info

ID:	386995
PubChem CID:	134983638
Reduced:	NOH13C14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	488.219889
ΔH_f, kcal/mol:	32.39
Dipole, Da:	3.92
IP(EA), eV:	-7.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S,5R,6R)-2-methylidene-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=C(O2)C)C3=C(CN(C3)C4=CC=C(C=C4)OC)C5=CC=CC=C5

DOS

IR

Vibrations