Geometry & MOs

Info

ID:

80165

PubChem CID:

49833337

Reduced:

S2O5N8C21H24 (1)

Stoich.:

A2B5C8D21E24 (1)

Weight, g/mol:

669.354485

ΔHf, kcal/mol:

-28.19

Dipole, Da:

13.15

IP(EA), eV:

 -8.74(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CCCCC2=[N+]1CC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC)/C5=CSC(=N5)N)SC3)C(=O)[O-]

DOS

IR

Vibrations