Geometry & MOs

Info

ID:

323733

PubChem CID:

126675872

Reduced:

FON8C20H23 (1)

Stoich.:

ABC8D20E23 (1)

Weight, g/mol:

377.2162

ΔHf, kcal/mol:

59.08

Dipole, Da:

4.43

IP(EA), eV:

 -8.64(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5R)-2-[(1R,3R)-6-amino-2,3-dihydroxy-4-(propylamino)cyclohexyl]oxy-4-[(1R)-1-hydroxyethyl]-3-oxa-7-azabicyclo[4.1.0]heptane-5,6-diol

Drug info:

PubChemData

Smile

C1[C@@H](CN[C@H]1CN=C/C(=C\N)/CC2=CC(=NC3=NNN=C23)N)OC4=CC=C(C=C4)F

DOS

IR

Vibrations