Geometry & MOs

Info

ID:	172858
PubChem CID:	75560973
Reduced:	N3O3C35H41 (1)
Stoich.:	A3B3C35D41 (1)
Weight, g/mol:	469.159076
ΔH_f, kcal/mol:	-123.23
Dipole, Da:	9.44
IP(EA), eV:	-8.3(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-(4-ethoxyanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)C56CC7CC(C5)CC(C7)C6)C)(C)C

DOS

IR

Vibrations