Geometry & MOs

Info

ID:	158878
PubChem CID:	57244129
Reduced:	N2Cl3O10C26H29 (1)
Stoich.:	A2B3C10D26E29 (1)
Weight, g/mol:	316.97213
ΔH_f, kcal/mol:	-379.25
Dipole, Da:	2.51
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-methyl-6-methylsulfonylphenyl)-2,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(C(C1(C2=C(C=CC(=C2Cl)Cl)Cl)C(=CC(=O)O)C(=O)O)C(=O)OC)C)COCCOCCN

DOS

IR

Vibrations