Geometry & MOs

Info

ID:	236348
PubChem CID:	92712464
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	311.090606
ΔH_f, kcal/mol:	-123.12
Dipole, Da:	4.81
IP(EA), eV:	-9.07(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(3-nitrophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3

DOS

IR

Vibrations