Geometry & MOs

Info

ID:	323921
PubChem CID:	126676608
Reduced:	O2C11H24 (1)
Stoich.:	A2B11C24 (1)
Weight, g/mol:	510.290094
ΔH_f, kcal/mol:	-133.18
Dipole, Da:	2.27
IP(EA), eV:	-9.73(1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-5-amino-6-[(1R,4R)-6-amino-2-[(2S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-(propylamino)cyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol

Drug info:

PubChemData

Smile

CCCCC(CCC)OC(C)OC

DOS

IR

Vibrations