Geometry & MOs

Info

ID:	123737
PubChem CID:	50860318
Reduced:	N4O5C25H28 (1)
Stoich.:	A4B5C25D28 (1)
Weight, g/mol:	433.218784
ΔH_f, kcal/mol:	-43.13
Dipole, Da:	13.64
IP(EA), eV:	-8.3(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)/C=N\NC(=O)C3=CC4=CC(=CC(=C4O3)OC)[N+](=O)[O-])C(CC1(C)C)C

DOS

IR

Vibrations