Geometry & MOs

Info

ID:	205664
PubChem CID:	80132205
Reduced:	BrF2N2O2H7C9 (1)
Stoich.:	AB2C2D2E7F9 (1)
Weight, g/mol:	409.91612
ΔH_f, kcal/mol:	-146.55
Dipole, Da:	1.58
IP(EA), eV:	-10.16(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)C(=O)NCC(=O)N)F)Br

DOS

IR

Vibrations