Geometry & MOs

Info

ID:	13797
PubChem CID:	398386
Reduced:	NOSC17H19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	285.118735
ΔH_f, kcal/mol:	-5.72
Dipole, Da:	3.03
IP(EA), eV:	-8.58(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-benzothiophen-2-yl)cyclohexyl]prop-2-enamide

Drug info:

PubChemData

Smile

C=CC(=O)NC1(CCCCC1)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations