Geometry & MOs

Info

ID:	147703
PubChem CID:	53787360
Reduced:	SO8C33H38 (1)
Stoich.:	AB8C33D38 (1)
Weight, g/mol:	466.271924
ΔH_f, kcal/mol:	-284.64
Dipole, Da:	7.69
IP(EA), eV:	-8.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(2,6-dipropoxy-3-propylphenyl)prop-2-enoyl]phenyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(C=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC)OCCCCC=CC3=CC=C(C=C3)OC

DOS

IR

Vibrations