Geometry & MOs

Info

ID:	295098
PubChem CID:	117517227
Reduced:	BrNSO2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	344.94035
ΔH_f, kcal/mol:	-71.54
Dipole, Da:	4.21
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=C(C=C1)Br)C2(CCCCC2)CN

DOS

IR

Vibrations