Geometry & MOs

Info

ID:

443065

PubChem CID:

135257594

Reduced:

NSF5O5C22H24 (1)

Stoich.:

ABC5D5E22F24 (1)

Weight, g/mol:

556.331445

ΔHf, kcal/mol:

-398.35

Dipole, Da:

4.7

IP(EA), eV:

 -9.48(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,8-naphthyridin-4-yl)-14-(8-methyl-4,6,7,8a-tetrahydro-3H-1,8-naphthyridin-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CCOCC1=CC=CC=C1)N(C)S(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F

DOS

IR

Vibrations