Geometry & MOs

Info

ID:

113

PubChem CID:

2142

Reduced:

N5O13C22H43 (1)

Stoich.:

A5B13C22D43 (1)

Weight, g/mol:

585.285736

ΔHf, kcal/mol:

-595.14

Dipole, Da:

6.65

IP(EA), eV:

 -9.35(0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C(C(C(C1NC(=O)C(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N

DOS

IR

Vibrations