Geometry & MOs

Info

ID:	366926
PubChem CID:	127321903
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	383.200905
ΔH_f, kcal/mol:	-12.24
Dipole, Da:	8.62
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undec-9-en-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CCCC4(C3)CCC=CC4

DOS

IR

Vibrations