Geometry & MOs

Info

ID:	382614
PubChem CID:	134973878
Reduced:	NH17C19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	582.449554
ΔH_f, kcal/mol:	60.99
Dipole, Da:	2.0
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C2=CC=CC=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations