Geometry & MOs

Info

ID:	67910
PubChem CID:	46507406
Reduced:	SO2F3N5H16C24 (1)
Stoich.:	AB2C3D5E16F24 (1)
Weight, g/mol:	479.00516
ΔH_f, kcal/mol:	-104.21
Dipole, Da:	6.33
IP(EA), eV:	-8.95(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N3C(=N2)SC(=N3)NC4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations