Geometry & MOs

Info

ID:

400032

PubChem CID:

135044679

Reduced:

SN2O2H13C14 (1)

Stoich.:

AB2C2D13E14 (1)

Weight, g/mol:

178.045236

ΔHf, kcal/mol:

-0.47

Dipole, Da:

2.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754365

Charge, e:

 0

Chem-info

IUPAC name:

2-thiophen-3-ylcyclopentene-1-carbaldehyde

Drug info:

PubChemData

Smile

CCO/C(=C/1\C(=NC(=S)N=C1C2=CC=CC=C2)C)/[O-]

DOS

IR

Vibrations