Geometry & MOs

Info

ID:	420006
PubChem CID:	135110704
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	418.14749
ΔH_f, kcal/mol:	98.3
Dipole, Da:	2.73
IP(EA), eV:	-8.87(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[[(1S,5S,6R,7R)-3-(6-methylpyridazin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)CC5=NOC(=N5)C6CC6

DOS

IR

Vibrations