Geometry & MOs

Info

ID:	123999
PubChem CID:	50869362
Reduced:	FOSN3C26H28 (1)
Stoich.:	ABCD3E26F28 (1)
Weight, g/mol:	433.162412
ΔH_f, kcal/mol:	-22.35
Dipole, Da:	1.67
IP(EA), eV:	-7.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)/C=C/3\C(=O)N=C(S3)NC4=CC=C(C=C4)C)C(=CC1(C)C)C

DOS

IR

Vibrations