Geometry & MOs

Info

ID:	79385
PubChem CID:	49748399
Reduced:	FSN4O4H17C20 (1)
Stoich.:	ABC4D4E17F20 (1)
Weight, g/mol:	430.082113
ΔH_f, kcal/mol:	-120.69
Dipole, Da:	4.89
IP(EA), eV:	-8.53(-1.38)
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]-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)C3=NNC(=O)C=C3)N(C1)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations