Geometry & MOs

Info

ID:	332644
PubChem CID:	127250930
Reduced:	FSO3N5C19H20 (1)
Stoich.:	ABC3D5E19F20 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-54.1
Dipole, Da:	4.73
IP(EA), eV:	-9.79(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxycyclohexyl)-1-[3-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)S(=O)(=O)C4=C(C=C(C=C4)F)C

DOS

IR

Vibrations