Geometry & MOs

Info

ID:	33000
PubChem CID:	7850034
Reduced:	SO4F5H11C16 (1)
Stoich.:	AB4C5D11E16 (1)
Weight, g/mol:	277.110279
ΔH_f, kcal/mol:	-347.09
Dipole, Da:	5.48
IP(EA), eV:	-10.52(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl)methyl (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F

DOS

IR

Vibrations