Geometry & MOs

Info

ID:	186114
PubChem CID:	77391709
Reduced:	OSF3N3C16H16 (1)
Stoich.:	ABC3D3E16F16 (1)
Weight, g/mol:	470.191818
ΔH_f, kcal/mol:	-119.18
Dipole, Da:	5.25
IP(EA), eV:	-8.69(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)N=CC1=CN=C(N=C1)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations