Geometry & MOs

Info

ID:	226222
PubChem CID:	87350175
Reduced:	ClSO3N4F8H23C27 (1)
Stoich.:	ABC3D4E8F23G27 (1)
Weight, g/mol:	328.08993
ΔH_f, kcal/mol:	-447.86
Dipole, Da:	9.26
IP(EA), eV:	-8.78(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodecanoic acid;hydroiodide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2C(=CC(=N2)C(C(F)(F)F)(F)F)C(=O)C(F)(F)F)N([C@@H](C)CSC)C(=O)C3=C(C=CC=C3Cl)C(=O)N

DOS

IR

Vibrations