Geometry & MOs

Info

ID:	172894
PubChem CID:	75567349
Reduced:	FSO2N3C27H28 (1)
Stoich.:	ABC2D3E27F28 (1)
Weight, g/mol:	409.19209
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	10.2
IP(EA), eV:	-8.54(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)C=C3C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)C)C)C(=CC1(C)C)C

DOS

IR

Vibrations