Geometry & MOs

Info

ID:	44750
PubChem CID:	10505735
Reduced:	NO4C32H43 (1)
Stoich.:	AB4C32D43 (1)
Weight, g/mol:	505.376724
ΔH_f, kcal/mol:	-160.68
Dipole, Da:	12.18
IP(EA), eV:	-9.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-dodecanoyl-2-(2-ethoxy-2-oxoethyl)-3,5-dimethylpyrrol-1-yl]octanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)[C@@H]2[C@H]1C)C)C(=O)OC

DOS

IR

Vibrations