Geometry & MOs

Info

ID:	294904
PubChem CID:	117503142
Reduced:	BrOF2N3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	316.98989
ΔH_f, kcal/mol:	-56.86
Dipole, Da:	4.04
IP(EA), eV:	-9.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-acetamido-6-bromo-3-hydroxyphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C(=CC(=C2OC)Br)F)F)N

DOS

IR

Vibrations