Geometry & MOs

Info

ID:	336854
PubChem CID:	127255861
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	290.136553
ΔH_f, kcal/mol:	-179.07
Dipole, Da:	1.42
IP(EA), eV:	-9.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,4R,6R)-4-(hydroxymethyl)-6-[[(2R,3S,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]cyclohexane-1,2,3-triol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCOC

DOS

IR

Vibrations