Geometry & MOs

Info

ID:	44499
PubChem CID:	10503808
Reduced:	FO2S2N4H17C22 (1)
Stoich.:	AB2C2D4E17F22 (1)
Weight, g/mol:	452.262147
ΔH_f, kcal/mol:	2.88
Dipole, Da:	2.72
IP(EA), eV:	-8.86(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5S,6S)-6-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]oxy-5-methoxy-2-methyloxane-3,4-diol

Drug info:

PubChemData

Smile

C1C(=O)N(C(S1)C2=CC=C(C=C2)F)NC(=O)CC3=CSC4=NC(=CN34)C5=CC=CC=C5

DOS

IR

Vibrations