Geometry & MOs

Info

ID:

324438

PubChem CID:

126677674

Reduced:

ClFO3N6H24C25 (1)

Stoich.:

ABC3D6E24F25 (1)

Weight, g/mol:

531.243678

ΔHf, kcal/mol:

-73.42

Dipole, Da:

5.13

IP(EA), eV:

 -8.57(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5S,6R,9S,15E,20R)-6-butan-2-yl-20-butyl-3,5-dihydroxy-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-8,18,21-trione

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)[C@]2(CCN(C2)C3=NN(C=C3)C4=CC(=NC5=C4C(=O)NC5)C6=C(C=CC=C6Cl)F)O

DOS

IR

Vibrations