Geometry & MOs

Info

ID:	23060
PubChem CID:	601490
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-60.14
Dipole, Da:	5.96
IP(EA), eV:	-9.17(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CC(CC1=O)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

DOS

IR

Vibrations