Geometry & MOs

Info

ID:	366961
PubChem CID:	127321947
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	379.161743
ΔH_f, kcal/mol:	-104.6
Dipole, Da:	4.14
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undec-9-en-2-yl)-3-(4-fluorophenyl)sulfonylbutan-1-one

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)N3CCCC4(C3)CCC=CC4

DOS

IR

Vibrations