Geometry & MOs

Info

ID:	121160
PubChem CID:	50757578
Reduced:	FN2S2O3H21C22 (1)
Stoich.:	AB2C2D3E21F22 (1)
Weight, g/mol:	444.091056
ΔH_f, kcal/mol:	-101.04
Dipole, Da:	4.78
IP(EA), eV:	-8.48(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-chloro-2-methoxyphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)C2=C3C=C(C=CC3=NC=C2C(=O)N4CCSCC4)F

DOS

IR

Vibrations