Geometry & MOs

Info

ID:

184268

PubChem CID:

77137574

Reduced:

FO2N4C13H13 (1)

Stoich.:

AB2C4D13E13 (1)

Weight, g/mol:

707.358901

ΔHf, kcal/mol:

-36.79

Dipole, Da:

3.85

IP(EA), eV:

 -9.45(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[6-acetamido-4-amino-3-[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[[acetyl(methyl)amino]methyl]oxan-3-yl]acetamide;butanedioic acid

Drug info:

PubChemData

Smile

CC(C1C(NC1=O)N2C=C(N=N2)C3=CC=C(C=C3)F)O

DOS

IR

Vibrations