Geometry & MOs

Info

ID:	122990
PubChem CID:	50829527
Reduced:	SN4O4H20C26 (1)
Stoich.:	AB4C4D20E26 (1)
Weight, g/mol:	482.081554
ΔH_f, kcal/mol:	2.01
Dipole, Da:	1.74
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-7-cyclopentyl-[1,3]dioxolo[4,5-g]quinazolin-8-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC5=C(C=C4C(=O)N3C6=CC=CC=C6C)OCO5

DOS

IR

Vibrations