Geometry & MOs

Info

ID:	323585
PubChem CID:	126675523
Reduced:	OC16H24 (1)
Stoich.:	AB16C24 (1)
Weight, g/mol:	512.305744
ΔH_f, kcal/mol:	-58.41
Dipole, Da:	1.03
IP(EA), eV:	-8.9(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-amino-2-[(2S)-2-amino-1-[(4R)-2,4-dihydroxypentan-3-yl]oxy-2-hydroxyethoxy]-6-hydroxy-5-(propylamino)cyclohexyl]oxy-5-(aminomethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)COC2CCCC2)CC

DOS

IR

Vibrations