Geometry & MOs

Info

ID:	168551
PubChem CID:	74986830
Reduced:	Cl2N2O5C13H16 (1)
Stoich.:	A2B2C5D13E16 (1)
Weight, g/mol:	391.23185
ΔH_f, kcal/mol:	-251.86
Dipole, Da:	4.3
IP(EA), eV:	-9.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexyl]pentanediamide

Drug info:

PubChemData

Smile

C1C(N(CC1(C(=O)O)N)CC2=CC=CC=C2O)C(=O)O.[Cl-].[Cl-]

DOS

IR

Vibrations