Geometry & MOs

Info

ID:	389985
PubChem CID:	134996409
Reduced:	FOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	238.066365
ΔH_f, kcal/mol:	-81.23
Dipole, Da:	2.79
IP(EA), eV:	-8.84(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1E,3E)-4-phenylbuta-1,3-diene-1-sulfonate

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(=CC1)OC2=CC=C(C=C2)F

DOS

IR

Vibrations