Geometry & MOs

Info

ID:	325275
PubChem CID:	126682444
Reduced:	OF5N5C17H18 (1)
Stoich.:	AB5C5D17E18 (1)
Weight, g/mol:	727.372032
ΔH_f, kcal/mol:	-227.62
Dipole, Da:	1.71
IP(EA), eV:	-9.84(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2R,7Z,10Z,13Z,16Z,19Z)-2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxy-3,3-dimethyldocosa-7,10,13,16,19-pentaenoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1CCN(C2)C(=O)C[C@H](CC3=CC(=C(C=C3F)F)F)N)(F)F

DOS

IR

Vibrations