Geometry & MOs

Info

ID:	375948
PubChem CID:	134221945
Reduced:	NOC24H29 (1)
Stoich.:	ABC24D29 (1)
Weight, g/mol:	298.126382
ΔH_f, kcal/mol:	-5.92
Dipole, Da:	5.02
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]oxypentane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C)C(C)/C=C/C2=CC=C(C=C2)CNC(=O)C3CC3

DOS

IR

Vibrations