Geometry & MOs

Info

ID:	78583
PubChem CID:	49693722
Reduced:	ClS2N4O4H7C12 (1)
Stoich.:	AB2C4D4E7F12 (1)
Weight, g/mol:	382.989818
ΔH_f, kcal/mol:	33.04
Dipole, Da:	3.75
IP(EA), eV:	-9.53(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Cl)CC2=NN=C(O2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

DOS

IR

Vibrations