Geometry & MOs

Info

ID:

1007

PubChem CID:

3659

Reduced:

N3O13C20H37 (1)

Stoich.:

A3B13C20D37 (1)

Weight, g/mol:

527.232638

ΔHf, kcal/mol:

-580.35

Dipole, Da:

6.14

IP(EA), eV:

 -9.39(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-(1-amino-2-hydroxyethyl)-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol

Drug info:

PubChemData

Smile

CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)N

DOS

IR

Vibrations