Geometry & MOs

Info

ID:	179471
PubChem CID:	76486768
Reduced:	N2O4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	726.22858
ΔH_f, kcal/mol:	-180.14
Dipole, Da:	7.81
IP(EA), eV:	-10.04(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-1,1,1,2,2-pentafluoro-6-hydroxypentadeca-8,10-dien-7-yl]sulfanyl-4-oxochromene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1CCCCC1)C2CC(=CC3=CC=NC=C3)C(=O)O2

DOS

IR

Vibrations