Geometry & MOs

Info

ID:	65583
PubChem CID:	46386646
Reduced:	SN4O6H22C26 (1)
Stoich.:	AB4C6D22E26 (1)
Weight, g/mol:	506.071862
ΔH_f, kcal/mol:	-70.91
Dipole, Da:	3.83
IP(EA), eV:	-8.88(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC5=C(C=C4C(=O)N3CC6=CC=CO6)OCO5

DOS

IR

Vibrations