Geometry & MOs

Info

ID:	69784
PubChem CID:	47205391
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	310.03429
ΔH_f, kcal/mol:	19.85
Dipole, Da:	7.41
IP(EA), eV:	-9.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-cyanopropyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=CC2=CC=CC=C2C=C1)C#N

DOS

IR

Vibrations