Geometry & MOs

Info

ID:

438347

PubChem CID:

135228080

Reduced:

F3C8H15 (1)

Stoich.:

A3B8C15 (1)

Weight, g/mol:

627.296301

ΔHf, kcal/mol:

-191.09

Dipole, Da:

2.85

IP(EA), eV:

-11.12(2.41)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3S)-5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(1-hydroxyethenyl)oxolan-3-yl]oxyoxane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)C(C(C)(C)CF)(F)F

DOS

IR

Vibrations