Geometry & MOs

Info

ID:	137257
PubChem CID:	52178463
Reduced:	SN2O3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	370.050254
ΔH_f, kcal/mol:	-30.37
Dipole, Da:	5.62
IP(EA), eV:	-9.12(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN=C(O1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

DOS

IR

Vibrations