Geometry & MOs

Info

ID:	434424
PubChem CID:	135174910
Reduced:	NS2O3C12H23 (1)
Stoich.:	AB2C3D12E23 (1)
Weight, g/mol:	307.194757
ΔH_f, kcal/mol:	-110.91
Dipole, Da:	2.42
IP(EA), eV:	-8.53(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(ethylamino)cyclobutyl]oxy-5-fluorophenyl]-4-methylpentan-3-one

Drug info:

PubChemData

Smile

CC(C)C(=O)COCCCOC1CN(C1)S(=S)C

DOS

IR

Vibrations