Geometry & MOs

Info

ID:	31915
PubChem CID:	3723283
Reduced:	BrNSO2F4H8C13 (1)
Stoich.:	ABCD2E4F8G13 (1)
Weight, g/mol:	387.088892
ΔH_f, kcal/mol:	-228.21
Dipole, Da:	4.53
IP(EA), eV:	-9.51(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylsulfonylphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)S(=O)(=O)NC2=CC=CC(=C2F)C(F)(F)F

DOS

IR

Vibrations