Geometry & MOs

Info

ID:	137046
PubChem CID:	52143348
Reduced:	SO3N7C16H19 (1)
Stoich.:	AB3C7D16E19 (1)
Weight, g/mol:	360.136845
ΔH_f, kcal/mol:	-2.85
Dipole, Da:	8.28
IP(EA), eV:	-8.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-butan-2-yl]-6-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=NN=C(O2)SCC3=NC(=NC=C3C(=O)OCC)NC

DOS

IR

Vibrations