Geometry & MOs

Info

ID:	123983
PubChem CID:	50868710
Reduced:	OSN3C27H31 (1)
Stoich.:	ABC3D27E31 (1)
Weight, g/mol:	445.218784
ΔH_f, kcal/mol:	13.38
Dipole, Da:	6.19
IP(EA), eV:	-7.93(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(2-methylanilino)-5-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)/C=C/3\C(=O)N(C(=NC4=CC=CC=C4)S3)C)C(=CC1(C)C)C

DOS

IR

Vibrations