Geometry & MOs

Info

ID:	155776
PubChem CID:	56367521
Reduced:	ClFSN3O4C22H25 (1)
Stoich.:	ABCD3E4F22G25 (1)
Weight, g/mol:	441.152241
ΔH_f, kcal/mol:	-189.77
Dipole, Da:	5.73
IP(EA), eV:	-9.32(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-2-methyl-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)CCNC(=O)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations