Geometry & MOs

Info

ID:	380235
PubChem CID:	134970613
Reduced:	SN3O13C28H39 (1)
Stoich.:	AB3C13D28E39 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-526.64
Dipole, Da:	3.3
IP(EA), eV:	-8.91(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E,6E,8E,10E)-12-ethoxy-12-oxododeca-2,4,6,8,10-pentaenoic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)S[C@@](C)(CNC(=O)OC)C(=O)N(C)OC)NC(=O)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C

DOS

IR

Vibrations