Geometry & MOs

Info

ID:	307280
PubChem CID:	125299332
Reduced:	SBr2N2O2H20C22 (1)
Stoich.:	AB2C2D2E20F22 (1)
Weight, g/mol:	376.224974
ΔH_f, kcal/mol:	14.41
Dipole, Da:	9.97
IP(EA), eV:	-8.28(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,7R,8R,9E,11E,13E,15E,17S,19E)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C4C=C(C=CC4=N3)Br)C=C(C2)Br

DOS

IR

Vibrations