Geometry & MOs

Info

ID:	142622
PubChem CID:	53068033
Reduced:	S2N3O3C15H15 (1)
Stoich.:	A2B3C3D15E15 (1)
Weight, g/mol:	393.045313
ΔH_f, kcal/mol:	-27.34
Dipole, Da:	6.62
IP(EA), eV:	-9.09(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(S2)C3=NN=C(O3)C

DOS

IR

Vibrations