Geometry & MOs

Info

ID:	141349
PubChem CID:	52864768
Reduced:	FO4N5C19H19 (1)
Stoich.:	AB4C5D19E19 (1)
Weight, g/mol:	372.125612
ΔH_f, kcal/mol:	-94.39
Dipole, Da:	1.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.053338
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=C1C=NN2C1=NC(=CC2=O)CN(C)[C@H](C3=CC(=CC=C3)F)C(=O)N)[O-]

DOS

IR

Vibrations