Geometry & MOs

Info

ID:	262519
PubChem CID:	103297952
Reduced:	BrFNSO2H11C13 (1)
Stoich.:	ABCDE2F11G13 (1)
Weight, g/mol:	342.96779
ΔH_f, kcal/mol:	-85.78
Dipole, Da:	4.86
IP(EA), eV:	-8.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-2-yl)methyl 5-amino-2-fluoro-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)OCC2=C(C=CS2)Br)N

DOS

IR

Vibrations