Geometry & MOs

Info

ID:	240633
PubChem CID:	93616888
Reduced:	SO2N6C14H20 (1)
Stoich.:	AB2C6D14E20 (1)
Weight, g/mol:	267.092915
ΔH_f, kcal/mol:	6.09
Dipole, Da:	4.62
IP(EA), eV:	-9.66(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)S(=O)(=O)NCC2=C(N=CC=C2)N3C=NC=N3

DOS

IR

Vibrations