Geometry & MOs

Info

ID:	236442
PubChem CID:	92712985
Reduced:	ClN3O3H22C31 (1)
Stoich.:	AB3C3D22E31 (1)
Weight, g/mol:	423.038876
ΔH_f, kcal/mol:	15.43
Dipole, Da:	5.45
IP(EA), eV:	-8.48(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]-3,4-dichloro-6-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=C3C=CC=CC3=CC4=CC=CC=C42)C5=CC(=CC=C5)NC(=O)C6=CC=CC=C6Cl

DOS

IR

Vibrations