Geometry & MOs

Info

ID:	123767
PubChem CID:	50861086
Reduced:	ClOSN3C26H30 (1)
Stoich.:	ABCD3E26F30 (1)
Weight, g/mol:	473.109539
ΔH_f, kcal/mol:	-11.37
Dipole, Da:	3.11
IP(EA), eV:	-8.07(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(4-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=C/3\C(=O)N=C(S3)NC4=CC(=CC(=C4)C)C)C(CC1(C)C)C

DOS

IR

Vibrations