Geometry & MOs

Info

ID:	65578
PubChem CID:	46386641
Reduced:	SN2O2H11C12 (2)
Stoich.:	AB2C2D11E12 (2)
Weight, g/mol:	476.151826
ΔH_f, kcal/mol:	-21.7
Dipole, Da:	2.52
IP(EA), eV:	-8.54(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC5=C(C=C4C(=O)N3C6CCCC6)OCO5

DOS

IR

Vibrations