Geometry & MOs

Info

ID:	445843
PubChem CID:	135269758
Reduced:	OSN3C26H31 (1)
Stoich.:	ABC3D26E31 (1)
Weight, g/mol:	438.14741
ΔH_f, kcal/mol:	29.81
Dipole, Da:	6.36
IP(EA), eV:	-8.05(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-amino-5-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-methyl-2H-pyrazin-3-yl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C(=C/C(=C\2/C(=NCC(=N2)C3=CC=C(C=C3)SC(C)C)C)/OC)/N

DOS

IR

Vibrations