Geometry & MOs

Info

ID:	123771
PubChem CID:	50861226
Reduced:	FON3C27H30 (1)
Stoich.:	ABC3D27E30 (1)
Weight, g/mol:	470.161032
ΔH_f, kcal/mol:	-34.25
Dipole, Da:	6.87
IP(EA), eV:	-8.19(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)/C=N\NC(=O)CC3=CC=CC4=CC=CC=C43)C(CC1(C)C)C

DOS

IR

Vibrations