Geometry & MOs

Info

ID:	277703
PubChem CID:	103830470
Reduced:	BrNO2F3H9C14 (1)
Stoich.:	ABC2D3E9F14 (1)
Weight, g/mol:	346.98269
ΔH_f, kcal/mol:	-194.42
Dipole, Da:	4.3
IP(EA), eV:	-9.62(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations