Geometry & MOs

Info

ID:	20898
PubChem CID:	586284
Reduced:	SO4H14C16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	302.06128
ΔH_f, kcal/mol:	-104.36
Dipole, Da:	4.52
IP(EA), eV:	-9.6(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-thiophen-2-ylprop-2-enoyloxy)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OC(=O)C=CC2=CC=CS2

DOS

IR

Vibrations