Geometry & MOs

Info

ID:

1898

PubChem CID:

5297

Reduced:

N7O12C21H39 (1)

Stoich.:

A7B12C21D39 (1)

Weight, g/mol:

581.26567

ΔHf, kcal/mol:

-483.46

Dipole, Da:

5.27

IP(EA), eV:

 -9.51(-0.19)

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-formyl-4-hydroxy-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)(C=O)O

DOS

IR

Vibrations