Geometry & MOs

Info

ID:	172888
PubChem CID:	75566303
Reduced:	FSO2N3C24H24 (1)
Stoich.:	ABC2D3E24F24 (1)
Weight, g/mol:	404.257612
ΔH_f, kcal/mol:	-46.36
Dipole, Da:	8.79
IP(EA), eV:	-7.95(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylanilino)-N-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)OC)C=C3C(=O)N=C(S3)NC4=CC=C(C=C4)F)C)(C)C

DOS

IR

Vibrations