Geometry & MOs

Info

ID:

339154

PubChem CID:

127260533

Reduced:

SO5N12C41H52 (1)

Stoich.:

AB5C12D41E52 (1)

Weight, g/mol:

559.332961

ΔHf, kcal/mol:

-7.16

Dipole, Da:

9.87

IP(EA), eV:

 -8.76(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-amino-2-[(2-aminoacetyl)-methylamino]-6-[[6-(aminomethyl)-3-(3,6-diaminohexanoylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-4-hydroxy-3-methoxycyclohexyl] acetate

Drug info:

PubChemData

Smile

CCN(CC)CCCNC1=NC(=NC(=N1)NC2=CC3=CC(=C(C(=C3C=C2)OC(=O)C)N=NC4=CC=C(C=C4)N=NC5=CC=CC=C5)S(=O)(=O)O)NCCCN(CC)CC

DOS

IR

Vibrations