Geometry & MOs

Info

ID:	121162
PubChem CID:	50757628
Reduced:	SN2O3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	408.150764
ΔH_f, kcal/mol:	-64.01
Dipole, Da:	2.21
IP(EA), eV:	-9.44(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[4-(2,4,5-trimethylphenyl)sulfonylquinolin-3-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C=NC3=CC=CC=C32)C(=O)N4CCCCC4

DOS

IR

Vibrations