Geometry & MOs

Info

ID:	191145
PubChem CID:	78110627
Reduced:	FSO3N5C23H26 (1)
Stoich.:	ABC3D5E23F26 (1)
Weight, g/mol:	596.20384
ΔH_f, kcal/mol:	-125.15
Dipole, Da:	4.91
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-benzyl-5-ethyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-1-hept-5-enylquinolin-7-one;hydrobromide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)NC(=O)N2CC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=NC=CS5)F

DOS

IR

Vibrations