Geometry & MOs

Info

ID:	123655
PubChem CID:	50858122
Reduced:	IN2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	405.187484
ΔH_f, kcal/mol:	50.2
Dipole, Da:	6.4
IP(EA), eV:	-8.03(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(3-methylanilino)-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)I)C)C)(C)C

DOS

IR

Vibrations