Geometry & MOs

Info

ID:	78571
PubChem CID:	49693636
Reduced:	S2N4O4H20C23 (1)
Stoich.:	A2B4C4D20E23 (1)
Weight, g/mol:	446.108248
ΔH_f, kcal/mol:	-18.99
Dipole, Da:	2.5
IP(EA), eV:	-9.18(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NN=C(O4)CC5=CC=CS5

DOS

IR

Vibrations