Geometry & MOs

Info

ID:	445844
PubChem CID:	135269764
Reduced:	SO3N6C21H22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	461.188546
ΔH_f, kcal/mol:	23.8
Dipole, Da:	2.76
IP(EA), eV:	-8.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]propan-2-amine

Drug info:

PubChemData

Smile

CN1CC(=NC(=C1N)C2=NN=C(O2)C3=C(C=CS3)OC)C4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations