Geometry & MOs

Info

ID:	46992
PubChem CID:	10528810
Reduced:	SN2O2C30H30 (1)
Stoich.:	AB2C2D30E30 (1)
Weight, g/mol:	480.982146
ΔH_f, kcal/mol:	54.05
Dipole, Da:	2.57
IP(EA), eV:	-8.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-oxoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

C=CCOC(=O)NCC#C[C@@H]1C[C@@H](CN1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations