Geometry & MOs

Info

ID:	169113
PubChem CID:	75066088
Reduced:	SO2N4H10C13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	364.203845
ΔH_f, kcal/mol:	30.32
Dipole, Da:	6.47
IP(EA), eV:	-9.63(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-1-[1-(2,4,6-trimethylphenyl)ethoxy]penta-1,3-dien-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)C(=CC2=CC=C(C=C2)O)C#N

DOS

IR

Vibrations