Geometry & MOs

Info

ID:

438344

PubChem CID:

135228077

Reduced:

ION2F3C17H18 (1)

Stoich.:

ABC2D3E17F18 (1)

Weight, g/mol:

567.275172

ΔHf, kcal/mol:

-129.18

Dipole, Da:

5.98

IP(EA), eV:

 -8.56(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC(=C(C(=C1N)NC2=C(C=C(C=C2)I)F)F)F

DOS

IR

Vibrations