Geometry & MOs

Info

ID:	32534
PubChem CID:	7842255
Reduced:	FSN2O3H15C22 (1)
Stoich.:	ABC2D3E15F22 (1)
Weight, g/mol:	415.124215
ΔH_f, kcal/mol:	-70.73
Dipole, Da:	5.89
IP(EA), eV:	-9.1(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-propylphenyl)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations