Geometry & MOs

Info

ID:	78556
PubChem CID:	49693607
Reduced:	SO2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	330.042276
ΔH_f, kcal/mol:	21.35
Dipole, Da:	6.05
IP(EA), eV:	-9.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=NN=C(O2)CC3=CC=CS3

DOS

IR

Vibrations