Geometry & MOs

Info

ID:	122875
PubChem CID:	50825007
Reduced:	SN4O4C22H28 (1)
Stoich.:	AB4C4D22E28 (1)
Weight, g/mol:	480.183127
ΔH_f, kcal/mol:	-74.59
Dipole, Da:	7.34
IP(EA), eV:	-9.24(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-ethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=NOC(=N4)C5CC5

DOS

IR

Vibrations