Geometry & MOs

Info

ID:	20902
PubChem CID:	586288
Reduced:	ISO2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	355.9368
ΔH_f, kcal/mol:	5.36
Dipole, Da:	4.72
IP(EA), eV:	-9.15(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-iodophenyl) 3-thiophen-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C=CC(=O)OC2=CC=C(C=C2)I

DOS

IR

Vibrations