Geometry & MOs

Info

ID:

190212

PubChem CID:

77969522

Reduced:

SO5N6C27H32 (1)

Stoich.:

AB5C6D27E32 (1)

Weight, g/mol:

629.311951

ΔHf, kcal/mol:

-113.11

Dipole, Da:

5.35

IP(EA), eV:

 -8.08(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-6-[5-[3-amino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

COCC1CCCN1C2=CC(=C(C=C2)NC(=O)C3=CSC(=N3)N4CCC(CC4)OC5=NC=CC=N5)C(=O)OC

DOS

IR

Vibrations