Geometry & MOs

Info

ID:	141350
PubChem CID:	52864962
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	383.105211
ΔH_f, kcal/mol:	-13.59
Dipole, Da:	2.45
IP(EA), eV:	-10.14(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=NC(=NO2)C3=CC=NC=C3)C(C)C

DOS

IR

Vibrations