Geometry & MOs

Info

ID:	65582
PubChem CID:	46386645
Reduced:	SN4O7H16C24 (1)
Stoich.:	AB4C7D16E24 (1)
Weight, g/mol:	518.126006
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	1.69
IP(EA), eV:	-8.92(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=NOC(=N3)CSC4=NC5=CC6=C(C=C5C(=O)N4CC7=CC=CO7)OCO6

DOS

IR

Vibrations