Geometry & MOs

Info

ID:	325050
PubChem CID:	126679399
Reduced:	ON2H18C30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	325.1849
ΔH_f, kcal/mol:	109.16
Dipole, Da:	2.83
IP(EA), eV:	-8.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-diamino-3-[(2S)-2-amino-1-(1,3-dihydroxybutan-2-yloxy)-2-hydroxyethoxy]cyclohexane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)NC6=C5C7=C(C=C6)C8=CC=CC=C8O7

DOS

IR

Vibrations