Geometry & MOs

Info

ID:	79387
PubChem CID:	49748401
Reduced:	FS2N3O3H18C20 (1)
Stoich.:	AB2C3D3E18F20 (1)
Weight, g/mol:	449.120941
ΔH_f, kcal/mol:	-95.94
Dipole, Da:	5.69
IP(EA), eV:	-8.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)NC2=CC3=C(CCCN3S(=O)(=O)C4=CC=C(C=C4)F)C=C2

DOS

IR

Vibrations