Geometry & MOs

Info

ID:

323932

PubChem CID:

126676636

Reduced:

N6O9C17H36 (1)

Stoich.:

A6B9C17D36 (1)

Weight, g/mol:

482.233641

ΔHf, kcal/mol:

-391.75

Dipole, Da:

7.96

IP(EA), eV:

 -9.14(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-[3,5-diamino-2-(3-amino-4,5,6-trihydroxyoxan-2-yl)oxy-6-hydroxycyclohexyl]oxy-3,4-dihydroxyoxolan-2-yl]methyl]guanidine

Drug info:

PubChemData

Smile

CC([C@H]([C@@H](C(CN)O)O[C@H]1[C@H](C([C@H](O1)CN=C(N)N)O)O)O[C@@H]2C([C@H]([C@@H](CO2)O)O)N)N

DOS

IR

Vibrations