Geometry & MOs

Info

ID:	44134
PubChem CID:	10501009
Reduced:	BrClN2O2C17H18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	398.13748
ΔH_f, kcal/mol:	-44.95
Dipole, Da:	5.21
IP(EA), eV:	-9.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E,6E)-7,11-dimethyl-3-(trifluoromethylsulfonyloxy)dodeca-2,6,10-trienoate

Drug info:

PubChemData

Smile

CN(CCCC(C1=CC(=CN=C1)Br)Cl)C(=O)OC2=CC=CC=C2

DOS

IR

Vibrations