Geometry & MOs

Info

ID:	236368
PubChem CID:	92712542
Reduced:	BrN4O6H15C22 (1)
Stoich.:	AB4C6D15E22 (1)
Weight, g/mol:	354.132805
ΔH_f, kcal/mol:	-39.63
Dipole, Da:	3.32
IP(EA), eV:	-9.39(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[4-(dimethylamino)-3-nitrophenyl]-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations