Geometry & MOs

Info

ID:

185858

PubChem CID:

77360913

Reduced:

FN3O7C23H26 (1)

Stoich.:

AB3C7D23E26 (1)

Weight, g/mol:

670.3385

ΔHf, kcal/mol:

-292.04

Dipole, Da:

11.96

IP(EA), eV:

 -9.52(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CNCC1=CC(=C2C(=C1F)CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C2O)O)O)C(=O)N)N(C)C)O

DOS

IR

Vibrations