Geometry & MOs

Info

ID:	445949
PubChem CID:	135270008
Reduced:	SO3N7C22H33 (1)
Stoich.:	AB3C7D22E33 (1)
Weight, g/mol:	387.136511
ΔH_f, kcal/mol:	-18.63
Dipole, Da:	6.31
IP(EA), eV:	-8.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=N/C(=C(/N)\N=C)/C2N(N=C(O2)CN3CCC(C3)N)C)C

DOS

IR

Vibrations