Geometry & MOs

Info

ID:	229502
PubChem CID:	87567862
Reduced:	FSN3O4C21H24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	286.214409
ΔH_f, kcal/mol:	-148.9
Dipole, Da:	3.59
IP(EA), eV:	-9.38(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-butyloctyl)-2-methylpropanedioic acid

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1F)N2CCC(/C(=C\C3=CC=NN3CCC(=O)O)/C2)S

DOS

IR

Vibrations