Geometry & MOs

Info

ID:	196440
PubChem CID:	78827208
Reduced:	OS2N5H15C21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	410.087118
ΔH_f, kcal/mol:	167.95
Dipole, Da:	7.32
IP(EA), eV:	-8.78(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NO2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

DOS

IR

Vibrations