Geometry & MOs

Info

ID:	121155
PubChem CID:	50757573
Reduced:	FN2S2O3C23H23 (1)
Stoich.:	AB2C2D3E23F23 (1)
Weight, g/mol:	430.075406
ΔH_f, kcal/mol:	-97.0
Dipole, Da:	8.46
IP(EA), eV:	-8.8(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-chloro-4-(3-methoxyphenyl)sulfonylquinolin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)C2=C3C=C(C=CC3=NC=C2C(=O)N4CCSCC4)F

DOS

IR

Vibrations