Geometry & MOs

Info

ID:	437368
PubChem CID:	135226177
Reduced:	ClFIO3N5H24C30 (1)
Stoich.:	ABCD3E5F24G30 (1)
Weight, g/mol:	364.26136
ΔH_f, kcal/mol:	-36.7
Dipole, Da:	3.28
IP(EA), eV:	-8.72(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=CC=CC=C21)CC(=O)N3[C@@H](CCC3I)C(=O)NC4=CC=CC(=C4F)C5=CC(=C6C(=C5)C=CN6)Cl

DOS

IR

Vibrations