Geometry & MOs

Info

ID:	378934
PubChem CID:	134228451
Reduced:	O2F3N7C25H30 (1)
Stoich.:	A2B3C7D25E30 (1)
Weight, g/mol:	426.210112
ΔH_f, kcal/mol:	-148.12
Dipole, Da:	9.63
IP(EA), eV:	-8.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-hydroxy-2-(hydroxymethyl)-6-(2-hydroxypropan-2-yl)-5-methoxyoxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(N1CCC(CC1)N2C(=C(C(=N2)C3=CN(N=C3)CC4=CC(=CC=C4)C(F)(F)F)C#N)N)O

DOS

IR

Vibrations