Geometry & MOs

Info

ID:	373631
PubChem CID:	131318079
Reduced:	BrNOSH10C12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	282.98441
ΔH_f, kcal/mol:	13.31
Dipole, Da:	4.44
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(bromomethyl)-1,3-benzoxazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CBr)C(=C(S2)CC#N)CO

DOS

IR

Vibrations