Geometry & MOs

Info

ID:	447512
PubChem CID:	135283480
Reduced:	ClSO3N4H21C27 (1)
Stoich.:	ABC3D4E21F27 (1)
Weight, g/mol:	540.511761
ΔH_f, kcal/mol:	-3.01
Dipole, Da:	5.47
IP(EA), eV:	-8.99(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

icosanoic acid;tetradecanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC(=CC=C2)NC3=CC(=O)NC=C3)N4C(=O)C(C(=O)N4)SC5=CC=CC=C5Cl

DOS

IR

Vibrations