Geometry & MOs

Info

ID:	401598
PubChem CID:	135051795
Reduced:	SO4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	261.061221
ΔH_f, kcal/mol:	-148.8
Dipole, Da:	6.44
IP(EA), eV:	-8.49(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(1-benzothiophen-3-yl)-3-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(=O)C(=C1C)SC2=CC=CC(=C2)OC

DOS

IR

Vibrations