Geometry & MOs

Info

ID:	79389
PubChem CID:	49748417
Reduced:	FSN4O4H19C23 (1)
Stoich.:	ABC4D4E19F23 (1)
Weight, g/mol:	467.131506
ΔH_f, kcal/mol:	-88.31
Dipole, Da:	5.54
IP(EA), eV:	-8.37(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)C3=NNC(=C3)C4=CC=CO4)N(C1)S(=O)(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations