Geometry & MOs

Info

ID:	301893
PubChem CID:	123099371
Reduced:	BrSN2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	418.111791
ΔH_f, kcal/mol:	-68.33
Dipole, Da:	6.03
IP(EA), eV:	-8.61(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinylpropanamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)CS(=O)CC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations