Geometry & MOs

Info

ID:

324241

PubChem CID:

126677216

Reduced:

FN2H9C10 (1)

Stoich.:

AB2C9D10 (1)

Weight, g/mol:

561.231593

ΔHf, kcal/mol:

6.51

Dipole, Da:

1.48

IP(EA), eV:

 -8.04(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-amino-N-[5-amino-4-[(2S)-2-amino-2-hydroxy-1-[[hydroxy(hydroxysulfanyl)amino]methoxy]ethoxy]-3-(5-ethyl-3,4-dihydroxyoxolan-2-yl)oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide

Drug info:

PubChemData

Smile

C=C1C(=C)NC2=C(N1)C=CC(=C2)F

DOS

IR

Vibrations