Geometry & MOs

Info

ID:	245125
PubChem CID:	99437615
Reduced:	ClFS2N3O3H11C12 (1)
Stoich.:	ABC2D3E3F11G12 (1)
Weight, g/mol:	412.041519
ΔH_f, kcal/mol:	-93.18
Dipole, Da:	2.85
IP(EA), eV:	-9.52(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=NC=C(C=C1)F)S(=O)(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations