Geometry & MOs

Info

ID:	401226
PubChem CID:	135050641
Reduced:	NO5C26H29 (1)
Stoich.:	AB5C26D29 (1)
Weight, g/mol:	469.301451
ΔH_f, kcal/mol:	-189.42
Dipole, Da:	5.94
IP(EA), eV:	-9.86(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11Z,14Z,17E)-2-ethyl-2-(4-methylphenyl)sulfonylicosa-11,14,17-trienenitrile

Drug info:

PubChemData

Smile

CCCCCC1[C@@H](CC(=O)O1)C(=O)N2[C@@H](COC2=O)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations