Geometry & MOs

Info

ID:	32589
PubChem CID:	7846932
Reduced:	ClSN2O3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	392.98344
ΔH_f, kcal/mol:	-87.87
Dipole, Da:	4.93
IP(EA), eV:	-8.99(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-fluorophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)C

DOS

IR

Vibrations