Geometry & MOs

Info

ID:	136793
PubChem CID:	52101618
Reduced:	NSO3C9H12 (2)
Stoich.:	ABC3D9E12 (2)
Weight, g/mol:	347.068825
ΔH_f, kcal/mol:	-214.34
Dipole, Da:	4.19
IP(EA), eV:	-10.05(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-5-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@H](CNS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC[C@H](C)O)O

DOS

IR

Vibrations