Geometry & MOs

Info

ID:	79358
PubChem CID:	49748228
Reduced:	FSN2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	354.140199
ΔH_f, kcal/mol:	-129.59
Dipole, Da:	2.55
IP(EA), eV:	-8.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1CC2=C3C(=CC(=C2)NS(=O)(=O)CC4=CC(=CC=C4)F)CC(=O)N3C1

DOS

IR

Vibrations