Geometry & MOs

Info

ID:	30594
PubChem CID:	841551
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	-10.2
Dipole, Da:	5.37
IP(EA), eV:	-8.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CC[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CCC3

DOS

IR

Vibrations