Geometry & MOs

Info

ID:	147422
PubChem CID:	53787078
Reduced:	ClSN4O4C23H23 (1)
Stoich.:	ABC4D4E23F23 (1)
Weight, g/mol:	342.204239
ΔH_f, kcal/mol:	-78.42
Dipole, Da:	6.52
IP(EA), eV:	-9.02(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-hydroperoxy-10-hydroxy-9-oxooctadeca-2,4-dienoic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=CC(=C2)S(=O)(=O)N[C@H]3CCN(C3=O)CC4=CC(=CC=C4)C(=N)N)C=C1)Cl

DOS

IR

Vibrations