Geometry & MOs

Info

ID:	137042
PubChem CID:	52142943
Reduced:	SO2N3C10H18 (1)
Stoich.:	AB2C3D10E18 (1)
Weight, g/mol:	318.078662
ΔH_f, kcal/mol:	-53.43
Dipole, Da:	4.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754044
Charge, e:	0

Chem-info

IUPAC name:

6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-2-propan-2-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C[NH+](C)CCSC1=NN=C(O1)[C@@H]2CCCO2

DOS

IR

Vibrations