Geometry & MOs

Info

ID:	123158
PubChem CID:	50835589
Reduced:	N2O2S4C19H22 (1)
Stoich.:	A2B2C4D19E22 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-17.92
Dipole, Da:	4.08
IP(EA), eV:	-8.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-[1-(1H-indole-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC(=C(S2)C)S(=O)(=O)N(CC3=CC=CS3)C4CCCC4

DOS

IR

Vibrations