Geometry & MOs

Info

ID:	79392
PubChem CID:	49748425
Reduced:	FSO3N4H21C25 (1)
Stoich.:	ABC3D4E21F25 (1)
Weight, g/mol:	478.122338
ΔH_f, kcal/mol:	-56.67
Dipole, Da:	5.38
IP(EA), eV:	-8.53(-0.75)
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]-3-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4)N(C1)S(=O)(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations