Geometry & MOs

Info

ID:	122288
PubChem CID:	50801271
Reduced:	SN4O4C18H18 (1)
Stoich.:	AB4C4D18E18 (1)
Weight, g/mol:	385.086305
ΔH_f, kcal/mol:	-46.63
Dipole, Da:	5.47
IP(EA), eV:	-10.21(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-3-[3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)CC2=NOC(=N2)CCC(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations