Geometry & MOs

Info

ID:	67911
PubChem CID:	46507409
Reduced:	BrSO2N5H14C21 (1)
Stoich.:	ABC2D5E14F21 (1)
Weight, g/mol:	479.00516
ΔH_f, kcal/mol:	90.73
Dipole, Da:	5.39
IP(EA), eV:	-9.1(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-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=C(C=C1)C2=CNC3=C2NC(=NC3=O)SCC4=NC(=NO4)C5=CC(=CC=C5)Br

DOS

IR

Vibrations