Geometry & MOs

Info

ID:	236446
PubChem CID:	92713023
Reduced:	SN3O3H19C22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	404.052362
ΔH_f, kcal/mol:	-19.69
Dipole, Da:	6.71
IP(EA), eV:	-8.89(-1.05)
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]-4-chloro-6-nitrophenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[C@H]3N(N=C(O3)C4=CC=CS4)C(=O)C

DOS

IR

Vibrations