Geometry & MOs

Info

ID:	375342
PubChem CID:	131500015
Reduced:	BrNOSH6C10 (1)
Stoich.:	ABCDE6F10 (1)
Weight, g/mol:	268.96876
ΔH_f, kcal/mol:	31.47
Dipole, Da:	3.58
IP(EA), eV:	-9.48(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-bromo-1,2-benzoxazol-4-yl)acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=NC(=CS2)Br)C=O

DOS

IR

Vibrations