Geometry & MOs

Info

ID:	372332
PubChem CID:	131296288
Reduced:	BrFSN2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	275.97973
ΔH_f, kcal/mol:	8.27
Dipole, Da:	4.08
IP(EA), eV:	-8.61(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromo-5-fluoro-2-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=C(C=C2)F)Br)N

DOS

IR

Vibrations