Geometry & MOs

Info

ID:	374817
PubChem CID:	131347897
Reduced:	BrSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	170.069142
ΔH_f, kcal/mol:	-64.52
Dipole, Da:	1.14
IP(EA), eV:	-9.42(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-amino-1,2-oxazol-3-yl)propanoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C2C(=C1)C=C(S2)C=O)Br

DOS

IR

Vibrations