Geometry & MOs

Info

ID:	132493
PubChem CID:	51370260
Reduced:	OSCl2N6C15H18 (1)
Stoich.:	ABC2D6E15F18 (1)
Weight, g/mol:	510.157741
ΔH_f, kcal/mol:	7.21
Dipole, Da:	2.85
IP(EA), eV:	-8.99(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,9E)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-2-[(2-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one

Drug info:

PubChemData

Smile

CCNC1=NC(=NCC)N2C(=N1)SCC2(NC3=C(C(=CC=C3)Cl)Cl)O

DOS

IR

Vibrations