Geometry & MOs

Info

ID:	170733
PubChem CID:	75271472
Reduced:	FSN4O4H21C24 (1)
Stoich.:	ABC4D4E21F24 (1)
Weight, g/mol:	418.109962
ΔH_f, kcal/mol:	-72.49
Dipole, Da:	2.85
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4a,7a-dihydrothieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NOC(=N2)CN3C4C=CSC4C(=O)N(C3=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations