Geometry & MOs

Info

ID:	79393
PubChem CID:	49748428
Reduced:	FSO3N6H19C23 (1)
Stoich.:	ABC3D6E19F23 (1)
Weight, g/mol:	496.103911
ΔH_f, kcal/mol:	-12.93
Dipole, Da:	5.98
IP(EA), eV:	-8.63(-1.49)
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-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)N4C=NN=N4)N(C1)S(=O)(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations