Geometry & MOs

Info

ID:	172958
PubChem CID:	75575866
Reduced:	NSO4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	451.196802
ΔH_f, kcal/mol:	-134.29
Dipole, Da:	4.29
IP(EA), eV:	-9.85(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-diazinan-4-ylidene)-3-methyl-2-[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholin-4-yl]pyrimidine-4,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC1=NOS(=O)(=O)C2CCCCC2)C(C)(C)C

DOS

IR

Vibrations