Geometry & MOs

Info

ID:

323489

PubChem CID:

126675004

Reduced:

N4O10C21H42 (1)

Stoich.:

A4B10C21D42 (1)

Weight, g/mol:

378.211449

ΔHf, kcal/mol:

-470.29

Dipole, Da:

7.93

IP(EA), eV:

 -9.25(0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2R,4R)-5-amino-4-[(4S,5S)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]-3-methyloxan-2-yl]oxy-2,3-dihydroxycyclohexyl]guanidine

Drug info:

PubChemData

Smile

CCCN[C@@H]1CC([C@H](C([C@@H]1O)OC2C(C([C@H](O2)CN)O)O)O[C@@H]3C(C([C@@H](C(O3)[C@@H](C)O)O)O)N)N

DOS

IR

Vibrations