Geometry & MOs

Info

ID:	208126
PubChem CID:	80497656
Reduced:	BrO3N5H6C9 (1)
Stoich.:	AB3C5D6E9 (1)
Weight, g/mol:	273.099892
ΔH_f, kcal/mol:	46.18
Dipole, Da:	8.98
IP(EA), eV:	-9.6(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-thiazolidine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=NNN=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations