Geometry & MOs

Info

ID:	30820
PubChem CID:	841969
Reduced:	OSCl2N3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	344.101706
ΔH_f, kcal/mol:	23.64
Dipole, Da:	6.08
IP(EA), eV:	-9.01(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

DOS

IR

Vibrations