Geometry & MOs

Info

ID:

15378

PubChem CID:

440110

Reduced:

N7O11C21H39 (1)

Stoich.:

A7B11C21D39 (1)

Weight, g/mol:

565.270755

ΔHf, kcal/mol:

-462.78

Dipole, Da:

6.01

IP(EA), eV:

 -9.25(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2S,3R,4S,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)C=O

DOS

IR

Vibrations