Geometry & MOs

Info

ID:	189011
PubChem CID:	77802610
Reduced:	Cl2N2F3O4C26H27 (1)
Stoich.:	A2B2C3D4E26F27 (1)
Weight, g/mol:	792.699561
ΔH_f, kcal/mol:	-315.31
Dipole, Da:	5.63
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-carboxyprop-1-enyl)cyclododecene-1-carboxylic acid;cyclododecene

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1C(NC2=C(C1N(CC3=CC(=CC(=C3)Cl)Cl)C(=O)OC)C=C(C=C2)C(F)(F)F)C4CC4

DOS

IR

Vibrations