Geometry & MOs

Info

ID:	226802
PubChem CID:	87558404
Reduced:	ClSO2N5H20C22 (1)
Stoich.:	ABC2D5E20F22 (1)
Weight, g/mol:	372.302831
ΔH_f, kcal/mol:	70.8
Dipole, Da:	5.63
IP(EA), eV:	-9.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3E,5E,7Z,9Z,11E)-2-propoxydocosa-1,3,5,7,9,11-hexaen-1-ol

Drug info:

PubChemData

Smile

CN(C=NS(=O)(=O)C1=CC=CC=C1)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CN=CC=C4

DOS

IR

Vibrations