Geometry & MOs

Info

ID:	155843
PubChem CID:	56367786
Reduced:	FSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-170.22
Dipole, Da:	8.77
IP(EA), eV:	-9.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NCC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)F

DOS

IR

Vibrations