Geometry & MOs

Info

ID:	67914
PubChem CID:	46507414
Reduced:	ClOSN4H19C22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	478.086639
ΔH_f, kcal/mol:	92.7
Dipole, Da:	4.27
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

DOS

IR

Vibrations