Geometry & MOs

Info

ID:	353060
PubChem CID:	127284210
Reduced:	O3N5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	381.177393
ΔH_f, kcal/mol:	-80.52
Dipole, Da:	3.89
IP(EA), eV:	-8.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)sulfonyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)N3CCC(CC3)CN4CCOCC4

DOS

IR

Vibrations