Geometry & MOs

Info

ID:	332659
PubChem CID:	127250945
Reduced:	SO3N5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-18.33
Dipole, Da:	6.84
IP(EA), eV:	-9.07(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxy-N-methylanilino)-1-[3-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)S(=O)(=O)CC4=CC(=C(C=C4)C)C

DOS

IR

Vibrations