Geometry & MOs

Info

ID:

186111

PubChem CID:

77391286

Reduced:

SF2N6O9C36H38 (1)

Stoich.:

AB2C6D9E36F38 (1)

Weight, g/mol:

460.182316

ΔHf, kcal/mol:

-346.69

Dipole, Da:

4.91

IP(EA), eV:

 -9.14(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-fluoro-3-methyl-6-pyrazol-1-ylphenyl)-[8-(8-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)SC2CCCC(C2OC(=O)C)N3C=C(N=N3)C4=CC=CC=C4F)OC(=O)C)N5C=C(N=N5)C6=CC=CC=C6F)OC(=O)C

DOS

IR

Vibrations