Geometry & MOs

Info

ID:	236440
PubChem CID:	92712972
Reduced:	SN3O4H13C18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	434.114568
ΔH_f, kcal/mol:	19.4
Dipole, Da:	3.72
IP(EA), eV:	-9.2(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R)-3-acetyl-5-(6-methylpyridin-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=CC=C(S2)[N+](=O)[O-])C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations