Geometry & MOs

Info

ID:	374253
PubChem CID:	131325860
Reduced:	NSBr2O2H5C9 (1)
Stoich.:	ABC2D2E5F9 (1)
Weight, g/mol:	207.053158
ΔH_f, kcal/mol:	40.2
Dipole, Da:	4.7
IP(EA), eV:	-9.43(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)[N+](=O)[O-])Br)CBr

DOS

IR

Vibrations