Geometry & MOs

Info

ID:	122105
PubChem CID:	50794708
Reduced:	SO4N5C15H21 (1)
Stoich.:	AB4C5D15E21 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-85.38
Dipole, Da:	9.46
IP(EA), eV:	-9.37(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN1C=C(N=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NOC(=C3)C

DOS

IR

Vibrations