Geometry & MOs

Info

ID:	236432
PubChem CID:	92712921
Reduced:	BrN4O6H17C22 (1)
Stoich.:	AB4C6D17E22 (1)
Weight, g/mol:	374.103335
ΔH_f, kcal/mol:	-40.13
Dipole, Da:	2.07
IP(EA), eV:	-9.11(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[(2-chlorophenoxy)methyl]-5-(2-ethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=CC=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])COC4=CC=C(C=C4)Br

DOS

IR

Vibrations