Geometry & MOs

Info

ID:	137769
PubChem CID:	52259480
Reduced:	BrFSN2O4H14C15 (1)
Stoich.:	ABCD2E4F14G15 (1)
Weight, g/mol:	411.06782
ΔH_f, kcal/mol:	-69.71
Dipole, Da:	5.65
IP(EA), eV:	-9.52(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(2-fluoro-4-nitrophenoxy)methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(S1)Br)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations