Geometry & MOs

Info

ID:	139519
PubChem CID:	52547972
Reduced:	FS2N3O3H18C21 (1)
Stoich.:	AB2C3D3E18F21 (1)
Weight, g/mol:	398.163043
ΔH_f, kcal/mol:	-67.88
Dipole, Da:	2.79
IP(EA), eV:	-8.82(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-phenyl-N-prop-2-enylbutanamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC=CC=C3S(=O)(=O)C)CC4=CC=C(C=C4)F

DOS

IR

Vibrations