Geometry & MOs

Info

ID:

325051

PubChem CID:

126679408

Reduced:

N3O7C12H27 (1)

Stoich.:

A3B7C12D27 (1)

Weight, g/mol:

569.290822

ΔHf, kcal/mol:

-335.74

Dipole, Da:

5.56

IP(EA), eV:

 -9.26(0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-amino-N-[(1R,2R,4R)-5-amino-4-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-3-[(2S,3S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide

Drug info:

PubChemData

Smile

CC(C(CO)OC([C@@H](N)O)OC1C(CC(C(C1O)O)N)N)O

DOS

IR

Vibrations