Geometry & MOs

Info

ID:	322008
PubChem CID:	126668131
Reduced:	ClON7C21H30 (1)
Stoich.:	ABC7D21E30 (1)
Weight, g/mol:	398.178812
ΔH_f, kcal/mol:	10.44
Dipole, Da:	7.11
IP(EA), eV:	-8.61(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(C(CN1C(=O)C)CC2=CC=C(C=C2)Cl)C3CCN(CC3)C4=NNC(=N4)N

DOS

IR

Vibrations