Geometry & MOs

Info

ID:	65581
PubChem CID:	46386644
Reduced:	SN4O6H20C25 (1)
Stoich.:	AB4C6D20E25 (1)
Weight, g/mol:	504.07397
ΔH_f, kcal/mol:	-58.34
Dipole, Da:	2.95
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NOC(=N2)CSC3=NC4=CC5=C(C=C4C(=O)N3CC6=CC=CO6)OCO5

DOS

IR

Vibrations