Geometry & MOs

Info

ID:	151094
PubChem CID:	53790792
Reduced:	SN3O5C14H15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	406.30831
ΔH_f, kcal/mol:	-86.01
Dipole, Da:	2.86
IP(EA), eV:	-9.23(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3,10,14-pentamethyl-13-(oxan-2-yloxy)pentadeca-5,9,14-trienoic acid

Drug info:

PubChemData

Smile

CON=C(C1=CC=CO1)C(=O)N[C@H]2[C@@H]3N(C2=O)C=C(CS3)CO

DOS

IR

Vibrations