Geometry & MOs

Info

ID:	235949
PubChem CID:	92711119
Reduced:	FSO2N3H14C20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	451.03317
ΔH_f, kcal/mol:	11.56
Dipole, Da:	8.67
IP(EA), eV:	-9.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(O2)[C@@H](C3=CC=CC=C3F)NC(=O)C4=CC=CS4

DOS

IR

Vibrations