Geometry & MOs

Info

ID:	236436
PubChem CID:	92712966
Reduced:	N3O5H21C24 (1)
Stoich.:	A3B5C21D24 (1)
Weight, g/mol:	464.088747
ΔH_f, kcal/mol:	-116.07
Dipole, Da:	8.0
IP(EA), eV:	-8.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S)-3-acetyl-5-(3-nitrophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)[C@@H]2N(N=C(O2)C3=C(C=CC4=CC=CC=C43)OC(=O)C)C(=O)C

DOS

IR

Vibrations