Geometry & MOs

Info

ID:	445970
PubChem CID:	135270143
Reduced:	FO2N7C24H24 (1)
Stoich.:	AB2C7D24E24 (1)
Weight, g/mol:	397.16848
ΔH_f, kcal/mol:	35.65
Dipole, Da:	4.58
IP(EA), eV:	-8.93(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(3-aminopyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfanylphenyl)pyrazin-2-amine

Drug info:

PubChemData

Smile

C/C=C\C=C/C=C/C1=NN=C(O1)C2=NC(=CN=C2N)C3=CC(=C(C=C3)C(=O)N4CCNCC4)F

DOS

IR

Vibrations