Geometry & MOs

Info

ID:	32590
PubChem CID:	7846933
Reduced:	BrFNSO2H13C17 (1)
Stoich.:	ABCDE2F13G17 (1)
Weight, g/mol:	379.124215
ΔH_f, kcal/mol:	-66.75
Dipole, Da:	1.63
IP(EA), eV:	-9.08(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations