Geometry & MOs

Info

ID:	30705
PubChem CID:	841749
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-69.17
Dipole, Da:	4.35
IP(EA), eV:	-9.05(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations