Geometry & MOs

Info

ID:	129725
PubChem CID:	51073646
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	304.007326
ΔH_f, kcal/mol:	2.83
Dipole, Da:	6.37
IP(EA), eV:	-8.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CCC1)C(=O)C2=CNC(=S)N2C3=CC=CC=C3

DOS

IR

Vibrations