Geometry & MOs

Info

ID:

190746

PubChem CID:

78051751

Reduced:

N2O3C18H24 (1)

Stoich.:

A2B3C18D24 (1)

Weight, g/mol:

588.288569

ΔHf, kcal/mol:

-124.5

Dipole, Da:

4.73

IP(EA), eV:

 -8.26(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;hydrochloride

Drug info:

PubChemData

Smile

CCC1CC(C(=O)NC1C2=CC3=C(C=C2)N(CC3)C)C(=O)OC

DOS

IR

Vibrations