Geometry & MOs

Info

ID:	85592
PubChem CID:	49877397
Reduced:	ClS2N3O3H23C24 (1)
Stoich.:	AB2C3D3E23F24 (1)
Weight, g/mol:	412.061957
ΔH_f, kcal/mol:	-12.27
Dipole, Da:	1.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.846443
Charge, e:	-1

Chem-info

IUPAC name:

6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide;chloride

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C.[Cl-]

DOS

IR

Vibrations