Geometry & MOs

Info

ID:	445958
PubChem CID:	135270023
Reduced:	O3N6C26H34 (1)
Stoich.:	A3B6C26D34 (1)
Weight, g/mol:	405.162332
ΔH_f, kcal/mol:	-26.61
Dipole, Da:	5.45
IP(EA), eV:	-8.23(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-propan-2-ylsulfanylphenyl)-2H-pyrazin-6-amine

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2N(N(C(O2)C3=C(N(CC(=N3)C4=CC=C(C=C4)C(=O)N(C)C)C)N)C)C

DOS

IR

Vibrations