Geometry & MOs

Info

ID:	229086
PubChem CID:	87566921
Reduced:	ClS2N4O5H21C22 (1)
Stoich.:	AB2C4D5E21F22 (1)
Weight, g/mol:	411.24433
ΔH_f, kcal/mol:	-121.14
Dipole, Da:	9.38
IP(EA), eV:	-8.94(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]ethanesulfonic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(N=C4)COS(=O)(=O)C)C(=O)N

DOS

IR

Vibrations