Geometry & MOs

Info

ID:	398271
PubChem CID:	135032618
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	242.112922
ΔH_f, kcal/mol:	-70.2
Dipole, Da:	5.91
IP(EA), eV:	-8.51(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-3-cyclopentylprop-1-enyl]-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H](C3=C2C=CC=C3OC)CC#N)C(C)C

DOS

IR

Vibrations