Geometry & MOs

Info

ID:	230114
PubChem CID:	87570243
Reduced:	SO2N3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	328.26136
ΔH_f, kcal/mol:	-28.58
Dipole, Da:	12.5
IP(EA), eV:	-8.83(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-butyloctyl)-2-methylhexanedioic acid

Drug info:

PubChemData

Smile

C1CC2=C(CN(C1)C(=O)O)C=C(C(=S)N2)C#N

DOS

IR

Vibrations