Geometry & MOs

Info

ID:	312812
PubChem CID:	126608868
Reduced:	O2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	368.054144
ΔH_f, kcal/mol:	-117.3
Dipole, Da:	3.27
IP(EA), eV:	-9.12(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-ethoxy-2-(trifluoromethylsulfonyloxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=C(C=C(C=C1)OCC2=CC=CC=C2)O

DOS

IR

Vibrations