Geometry & MOs

Info

ID:	123874
PubChem CID:	50863498
Reduced:	FSN2O3C28H33 (1)
Stoich.:	ABC2D3E28F33 (1)
Weight, g/mol:	451.209362
ΔH_f, kcal/mol:	-149.04
Dipole, Da:	10.69
IP(EA), eV:	-8.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-2-(2-methylanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)/C=C/3\C(=O)N(C(=O)S3)CCOC4=CC=C(C=C4)C)C(CC1(C)C)C

DOS

IR

Vibrations