Geometry & MOs

Info

ID:	29456
PubChem CID:	833916
Reduced:	OSN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	348.013555
ΔH_f, kcal/mol:	1.81
Dipole, Da:	2.6
IP(EA), eV:	-9.01(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C#N

DOS

IR

Vibrations