Geometry & MOs

Info

ID:	445931
PubChem CID:	135269958
Reduced:	FOSN5C24H24 (1)
Stoich.:	ABCD5E24F24 (1)
Weight, g/mol:	462.217952
ΔH_f, kcal/mol:	52.96
Dipole, Da:	3.48
IP(EA), eV:	-8.59(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[5-[3-amino-6-(4-propan-2-ylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)SC1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=C(C=C(C=C4)CNC)F)N

DOS

IR

Vibrations