Geometry & MOs

Info

ID:	191162
PubChem CID:	78113415
Reduced:	N2O9C16H26 (1)
Stoich.:	A2B9C16D26 (1)
Weight, g/mol:	412.194462
ΔH_f, kcal/mol:	-411.64
Dipole, Da:	6.58
IP(EA), eV:	-10.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,5-dihydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NC(=O)C1=CC(C(C(O1)C(C(CO)O)O)NC(=O)C)O

DOS

IR

Vibrations