Geometry & MOs

Info

ID:

310024

PubChem CID:

126572941

Reduced:

SO3F5N6C23H27 (1)

Stoich.:

AB3C5D6E23F27 (1)

Weight, g/mol:

490.135401

ΔHf, kcal/mol:

-290.31

Dipole, Da:

4.52

IP(EA), eV:

 -8.33(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(5R,6S)-3-amino-1-hydroxy-2,2,5-trimethyl-1lambda4-thia-4,9-diazabicyclo[4.3.0]non-3-en-5-yl]-4-fluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1([C@@H]2CCNS2(C(C(=N1)N)(C)C)O)C3=C(C=CC(=C3)NC(=O)C4=CN=C(C=N4)OCC(C(F)F)(F)F)F

DOS

IR

Vibrations