Geometry & MOs

Info

ID:	123659
PubChem CID:	50858137
Reduced:	N2O2C27H30 (1)
Stoich.:	A2B2C27D30 (1)
Weight, g/mol:	425.132861
ΔH_f, kcal/mol:	-2.45
Dipole, Da:	3.11
IP(EA), eV:	-7.83(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(4-chloroanilino)-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C=C2)C=NC3=CC=C(C=C3)OC4=CC=C(C=C4)OC)C)(C)C

DOS

IR

Vibrations