Geometry & MOs

Info

ID:

609

PubChem CID:

3069

Reduced:

N7O12C21H41 (1)

Stoich.:

A7B12C21D41 (1)

Weight, g/mol:

583.28132

ΔHf, kcal/mol:

-513.38

Dipole, Da:

2.07

IP(EA), eV:

 -9.2(0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(diaminomethylideneamino)-4-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine

Drug info:

PubChemData

Smile

CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O

DOS

IR

Vibrations