Geometry & MOs

Info

ID:	447163
PubChem CID:	135280856
Reduced:	NC27H31 (1)
Stoich.:	AB27C31 (1)
Weight, g/mol:	410.266839
ΔH_f, kcal/mol:	65.84
Dipole, Da:	2.49
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R,6R)-5-ethoxy-4-(methoxymethyl)-6-[(1R)-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxyethyl]-2-phenyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC2=CC=C(C=C2)C(=NC3=CC=CC=C3C)C)C(C)C

DOS

IR

Vibrations