Geometry & MOs

Info

ID:	172870
PubChem CID:	75562645
Reduced:	ClSO2N3C27H32 (1)
Stoich.:	ABC2D3E27F32 (1)
Weight, g/mol:	473.109539
ΔH_f, kcal/mol:	-43.86
Dipole, Da:	7.27
IP(EA), eV:	-8.21(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloroanilino)-5-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)Cl)C=C3C(=O)N(C(=NC4=CC=CC=C4)S3)CCOC)C(CC1(C)C)C

DOS

IR

Vibrations