Geometry & MOs

Info

ID:	25120
PubChem CID:	619099
Reduced:	NO3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	346.207885
ΔH_f, kcal/mol:	-224.71
Dipole, Da:	4.36
IP(EA), eV:	-8.54(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide

Drug info:

PubChemData

Smile

CCCCC(=O)N1C(=CC2=CC(=C(C=C2)OC)OC)C(=O)N(C1=O)C(=O)CCCC

DOS

IR

Vibrations