Geometry & MOs

Info

ID:	236384
PubChem CID:	92712633
Reduced:	BrSN3O5H16C21 (1)
Stoich.:	ABC3D5E16F21 (1)
Weight, g/mol:	500.9994
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	10.29
IP(EA), eV:	-9.3(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-5-(5-bromo-2-phenylmethoxyphenyl)-2-(5-nitrothiophen-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC=C(S4)[N+](=O)[O-]

DOS

IR

Vibrations