Geometry & MOs

Info

ID:

170

PubChem CID:

2226

Reduced:

N3O5C11H22 (2)

Stoich.:

A3B5C11D22 (2)

Weight, g/mol:

552.311892

ΔHf, kcal/mol:

-452.03

Dipole, Da:

3.77

IP(EA), eV:

 -9.28(0.79)

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

Drug info:

PubChemData

Smile

C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)NC(=O)C(CCN)O)N)N

DOS

IR

Vibrations