Geometry & MOs

Info

ID:	79704
PubChem CID:	49830037
Reduced:	FSN4O4C19H19 (1)
Stoich.:	ABC4D4E19F19 (1)
Weight, g/mol:	412.101227
ΔH_f, kcal/mol:	-118.51
Dipole, Da:	4.41
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-1-benzothiophen-2-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)OC(C)C(=O)NC2=CC(=CC=C2)F)C3=CC=CO3

DOS

IR

Vibrations