Geometry & MOs

Info

ID:

438153

PubChem CID:

135227781

Reduced:

ON3C12H13 (2)

Stoich.:

AB3C12D13 (2)

Weight, g/mol:

698.383719

ΔHf, kcal/mol:

31.42

Dipole, Da:

9.64

IP(EA), eV:

 -9.36(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(5R)-6-oxo-5-[5-(2,3,4,6-tetrahydroxy-1-methoxy-5-methylhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC(=C3C(=C2)N(C=N3)C(C4CCOCC4)C5=CC=CC=C5)C(=O)N

DOS

IR

Vibrations