Geometry & MOs

Info

ID:	179810
PubChem CID:	76534453
Reduced:	SO3N6C10H12 (1)
Stoich.:	AB3C6D10E12 (1)
Weight, g/mol:	442.191738
ΔH_f, kcal/mol:	45.25
Dipole, Da:	4.51
IP(EA), eV:	-9.56(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

C#CCN1C(=O)N2C=NC(=C2NN1)S(=O)(=O)NC3CC3

DOS

IR

Vibrations