Geometry & MOs

Info

ID:	79388
PubChem CID:	49748407
Reduced:	FSN3O3H20C24 (1)
Stoich.:	ABC3D3E20F24 (1)
Weight, g/mol:	466.111104
ΔH_f, kcal/mol:	-83.16
Dipole, Da:	4.11
IP(EA), eV:	-8.43(-0.76)
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]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4N3)N(C1)S(=O)(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations