Geometry & MOs

Info

ID:	123760
PubChem CID:	50860917
Reduced:	N2O2C25H32 (1)
Stoich.:	A2B2C25D32 (1)
Weight, g/mol:	469.159076
ΔH_f, kcal/mol:	-65.55
Dipole, Da:	7.2
IP(EA), eV:	-7.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)C)C=NC3=C(C=C(C=C3)C(=O)OC)C)C(CC1(C)C)C

DOS

IR

Vibrations