Geometry & MOs

Info

ID:	67907
PubChem CID:	46507399
Reduced:	SO2N5H21C25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	415.110296
ΔH_f, kcal/mol:	48.65
Dipole, Da:	4.8
IP(EA), eV:	-8.94(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=CC=C1)NC2=NN3C(=O)C4=CC=CC=C4N=C3S2)C5=CC=CC=C5

DOS

IR

Vibrations