Geometry & MOs

Info

ID:	243312
PubChem CID:	99218284
Reduced:	FSN3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	427.156577
ΔH_f, kcal/mol:	-128.78
Dipole, Da:	4.53
IP(EA), eV:	-9.41(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylsulfamoyl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NC3=CC=CC=C3S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations